CS-1002026
Paclitaxel Impurity 66
Manufacturer: ChemScene
CAS Number: 173101-47-8
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₂H₅₁NO₁₃
Molecular Weight
777.85
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[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(CCC)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa
215.22
Logp
2.6512
H Acceptors
13
H Donors
5
Rotatable Bonds
10
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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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₂H₅₁NO₁₃
Molecular Weight: 777.85
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[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(CCC)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa: 215.22
Logp: 2.6512
H Acceptors: 13
H Donors: 5
Rotatable Bonds: 10
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₂H₅₁NO₁₃
Molecular Weight:
777.85
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[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(CCC)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa:
215.22
Logp:
2.6512
H Acceptors:
13
H Donors:
5
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₈H₅₃NO₁₄
Molecular Weight: 867.93
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](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(CC6=CC=CC=C6)=O)C7=CC=CC=C7)O)=O)C5)[H]
Tpsa: 221.29
Logp: 3.6646
H Acceptors: 14
H Donors: 4
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:
C₄₈H₅₃NO₁₄
Molecular Weight:
867.93
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](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(CC6=CC=CC=C6)=O)C7=CC=CC=C7)O)=O)C5)[H]
Tpsa:
221.29
Logp:
3.6646
H Acceptors:
14
H Donors:
4
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: C₁₅H₁₈O₂
Molecular Weight: 230.30
Synonyms: None
SMILES: O=C(OCC)C(C=1C=CC=CC1)=C2CCCC2
Tpsa: 26.3
Logp: 3.5773
H Acceptors: 2
H Donors: 0
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:
C₁₅H₁₈O₂
Molecular Weight:
230.30
Synonyms:
None
SMILES:
O=C(OCC)C(C=1C=CC=CC1)=C2CCCC2
Tpsa:
26.3
Logp:
3.5773
H Acceptors:
2
H Donors:
0
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: C₁₁H₁₃NO₃
Molecular Weight: 207.23
Synonyms: None
SMILES: O=C(O)C=1C=CC=CC1C(=O)NCCC
Tpsa: 66.4
Logp: 1.5246
H Acceptors: 2
H Donors: 2
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:
C₁₁H₁₃NO₃
Molecular Weight:
207.23
Synonyms:
None
SMILES:
O=C(O)C=1C=CC=CC1C(=O)NCCC
Tpsa:
66.4
Logp:
1.5246
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4