CS-1002370
Paclitaxel Impurity 79
Manufacturer: ChemScene
CAS Number: 194720-19-9
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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
C₄₇H₇₈O₁₀Si₃
Molecular Weight
887.37
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](O[Si](CC)(CC)CC)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](O[Si](CC)(CC)CC)C4C)[H]
Tpsa
126.82
Logp
10.1703
H Acceptors
10
H Donors
1
Rotatable Bonds
18
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: C₄₇H₇₈O₁₀Si₃
Molecular Weight: 887.37
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](O[Si](CC)(CC)CC)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](O[Si](CC)(CC)CC)C4C)[H]
Tpsa: 126.82
Logp: 10.1703
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₇H₇₈O₁₀Si₃
Molecular Weight:
887.37
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](O[Si](CC)(CC)CC)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](O[Si](CC)(CC)CC)C4C)[H]
Tpsa:
126.82
Logp:
10.1703
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀ClN₃O₃
Molecular Weight: 219.63
Synonyms: None
SMILES: C([C@H](CCl)O)N1C(C)=NC(N(=O)=O)=C1
Tpsa: 81.19
Logp: 0.69942
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₀ClN₃O₃
Molecular Weight:
219.63
Synonyms:
None
SMILES:
C([C@H](CCl)O)N1C(C)=NC(N(=O)=O)=C1
Tpsa:
81.19
Logp:
0.69942
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃NO
Molecular Weight: 199.25
Synonyms: None
SMILES: OC(C=1C=CN=CC1)(C=2C=CC=CC2)C
Tpsa: 33.12
Logp: 2.3374
H Acceptors: 2
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:
C₁₃H₁₃NO
Molecular Weight:
199.25
Synonyms:
None
SMILES:
OC(C=1C=CN=CC1)(C=2C=CC=CC2)C
Tpsa:
33.12
Logp:
2.3374
H Acceptors:
2
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: C₂₈H₃₂FNO₄
Molecular Weight: 465.56
Synonyms: None
SMILES: C(=C/C(C[C@H](CC(OC(C)(C)C)=O)O)=O)\C1=C(C=2C(N1C(C)C)=CC=CC2)C3=CC=C(F)C=C3
Tpsa: 68.53
Logp: 6.0934
H Acceptors: 5
H Donors: 1
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:
C₂₈H₃₂FNO₄
Molecular Weight:
465.56
Synonyms:
None
SMILES:
C(=C/C(C[C@H](CC(OC(C)(C)C)=O)O)=O)\C1=C(C=2C(N1C(C)C)=CC=CC2)C3=CC=C(F)C=C3
Tpsa:
68.53
Logp:
6.0934
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
8