CS-1001318
Docetaxel Impurity 62
Manufacturer: ChemScene
CAS Number: 1412898-68-0
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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
C₄₃H₅₁NO₁₅
Molecular Weight
821.86
Synonyms
None
SMILES
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](O)C(=O)[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa
241.52
Logp
2.4386
H Acceptors
15
H Donors
5
Rotatable Bonds
8
Related Products
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: C₄₃H₅₁NO₁₅
Molecular Weight: 821.86
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](O)C(=O)[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa: 241.52
Logp: 2.4386
H Acceptors: 15
H Donors: 5
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₃H₅₁NO₁₅
Molecular Weight:
821.86
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](O)C(=O)[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa:
241.52
Logp:
2.4386
H Acceptors:
15
H Donors:
5
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₂O₃
Molecular Weight: 356.50
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3(C(C4=C(CC3)CC5(CC4)OCCO5)=CC1)[H])(CC[C@]2(CC=C)O)[H]
Tpsa: 38.69
Logp: 4.6736
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₂O₃
Molecular Weight:
356.50
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3(C(C4=C(CC3)CC5(CC4)OCCO5)=CC1)[H])(CC[C@]2(CC=C)O)[H]
Tpsa:
38.69
Logp:
4.6736
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₂O₆
Molecular Weight: 262.30
Synonyms: None
SMILES: O=C(OCCOCCOCCOC(=O)CC)CC
Tpsa: 71.06
Logp: 0.926
H Acceptors: 6
H Donors: 0
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:
C₁₂H₂₂O₆
Molecular Weight:
262.30
Synonyms:
None
SMILES:
O=C(OCCOCCOCCOC(=O)CC)CC
Tpsa:
71.06
Logp:
0.926
H Acceptors:
6
H Donors:
0
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: C₂₅H₃₄ClF₂NOSi
Molecular Weight: 466.08
Synonyms: None
SMILES: O([Si](C(C)C)(C(C)C)C(C)C)[C@H]1C=2C([C@@H](Cl)[C@@H](CC1)C3=C(F)C(F)=CC=C3)=CC=CN2
Tpsa: 22.12
Logp: 8.4505
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₄ClF₂NOSi
Molecular Weight:
466.08
Synonyms:
None
SMILES:
O([Si](C(C)C)(C(C)C)C(C)C)[C@H]1C=2C([C@@H](Cl)[C@@H](CC1)C3=C(F)C(F)=CC=C3)=CC=CN2
Tpsa:
22.12
Logp:
8.4505
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
6