CS-1001137
Paclitaxel Impurity 68
Manufacturer: ChemScene
CAS Number: 135365-62-7
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₅₉H₇₉NO₁₄Si₂
Molecular Weight
1082.43
Synonyms
None
SMILES
O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](O[Si](CC)(CC)CC)C[C@]1(OC2)[H])C(=O)[C@H](OC(C)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC([C@@H]([C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)O[Si](CC)(CC)CC)=O)C4C)[H]
Tpsa
199.29
Logp
9.7947
H Acceptors
14
H Donors
2
Rotatable Bonds
20
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₉H₇₉NO₁₄Si₂
Molecular Weight: 1082.43
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](O[Si](CC)(CC)CC)C[C@]1(OC2)[H])C(=O)[C@H](OC(C)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC([C@@H]([C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)O[Si](CC)(CC)CC)=O)C4C)[H]
Tpsa: 199.29
Logp: 9.7947
H Acceptors: 14
H Donors: 2
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₉H₇₉NO₁₄Si₂
Molecular Weight:
1082.43
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](O[Si](CC)(CC)CC)C[C@]1(OC2)[H])C(=O)[C@H](OC(C)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC([C@@H]([C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)O[Si](CC)(CC)CC)=O)C4C)[H]
Tpsa:
199.29
Logp:
9.7947
H Acceptors:
14
H Donors:
2
Rotatable Bonds:
20
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₃₁N₃O₂
Molecular Weight: 513.63
Synonyms: None
SMILES: N([C@H](C(OC)=O)C(C)C)(CC1=CC=C(C=C1)C2=C(C#N)C=CC=C2)CC3=CC=C(C=C3)C4=C(C#N)C=CC=C4
Tpsa: 77.12
Logp: 6.96376
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₁N₃O₂
Molecular Weight:
513.63
Synonyms:
None
SMILES:
N([C@H](C(OC)=O)C(C)C)(CC1=CC=C(C=C1)C2=C(C#N)C=CC=C2)CC3=CC=C(C=C3)C4=C(C#N)C=CC=C4
Tpsa:
77.12
Logp:
6.96376
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₇H₅₃NO₁₅
Molecular Weight: 871.92
Synonyms: None
SMILES: O(C(=O)C1=CC=CC=C1)[C@H]2[C@]3([C@](C)(C(=O)[C@H](OC(C)=O)C=4C(C)(C)[C@@]2(O)C[C@H](OC([C@@H]([C@@H](NC(=O)C5=CC=CC=C5)C6=CC=CC=C6)O)=O)C4C)[C@@H](O)C[C@H](O)[C@]3(COC(C)=O)O)[H]
Tpsa: 252.52
Logp: 2.6901
H Acceptors: 15
H Donors: 6
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₇H₅₃NO₁₅
Molecular Weight:
871.92
Synonyms:
None
SMILES:
O(C(=O)C1=CC=CC=C1)[C@H]2[C@]3([C@](C)(C(=O)[C@H](OC(C)=O)C=4C(C)(C)[C@@]2(O)C[C@H](OC([C@@H]([C@@H](NC(=O)C5=CC=CC=C5)C6=CC=CC=C6)O)=O)C4C)[C@@H](O)C[C@H](O)[C@]3(COC(C)=O)O)[H]
Tpsa:
252.52
Logp:
2.6901
H Acceptors:
15
H Donors:
6
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₂ClN₅O₄
Molecular Weight: 395.84
Synonyms: None
SMILES: C=C1[C@@H](N2C=3C(N=C2)=C(Cl)N=C(NC(OC(C)(C)C)=O)N3)C[C@H](O)[C@H]1CO
Tpsa: 122.39
Logp: 2.2971
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₂ClN₅O₄
Molecular Weight:
395.84
Synonyms:
None
SMILES:
C=C1[C@@H](N2C=3C(N=C2)=C(Cl)N=C(NC(OC(C)(C)C)=O)N3)C[C@H](O)[C@H]1CO
Tpsa:
122.39
Logp:
2.2971
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
3