CS-0928594
13-Oxobaccatin III
Manufacturer: ChemScene
CAS Number: 32981-89-8
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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
C₃₁H₃₆O₁₁
Molecular Weight
584.61
Synonyms
None
SMILES
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C(C(C4)=O)C)C)O)OC(C5=CC=CC=C5)=O)=O
Tpsa
162.73
Logp
1.8608
H Acceptors
11
H Donors
2
Rotatable Bonds
4
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: C₃₁H₃₆O₁₁
Molecular Weight: 584.61
Synonyms: None
SMILES: CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C(C(C4)=O)C)C)O)OC(C5=CC=CC=C5)=O)=O
Tpsa: 162.73
Logp: 1.8608
H Acceptors: 11
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:
C₃₁H₃₆O₁₁
Molecular Weight:
584.61
Synonyms:
None
SMILES:
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C(C(C4)=O)C)C)O)OC(C5=CC=CC=C5)=O)=O
Tpsa:
162.73
Logp:
1.8608
H Acceptors:
11
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: C₁₁H₁₇N₃O₂
Molecular Weight: 223.27
Synonyms: None
SMILES: O=C(OC(C)(C)C)C=1N=C(NC)C(N)=CC1
Tpsa: 77.24
Logp: 1.6608
H Acceptors: 5
H Donors: 2
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:
C₁₁H₁₇N₃O₂
Molecular Weight:
223.27
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)C=1N=C(NC)C(N)=CC1
Tpsa:
77.24
Logp:
1.6608
H Acceptors:
5
H Donors:
2
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: C₉H₉BrFNO₂
Molecular Weight: 262.08
Synonyms: None
SMILES: O=C(OCC)C1=NC=C(C=C1F)CBr
Tpsa: 39.19
Logp: 2.2923
H Acceptors: 3
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:
C₉H₉BrFNO₂
Molecular Weight:
262.08
Synonyms:
None
SMILES:
O=C(OCC)C1=NC=C(C=C1F)CBr
Tpsa:
39.19
Logp:
2.2923
H Acceptors:
3
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: C₁₁H₁₃ClN₂O₄
Molecular Weight: 272.68
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1N=CC(Cl)=C(C1=O)C(=O)C
Tpsa: 78.26
Logp: 1.8825
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃ClN₂O₄
Molecular Weight:
272.68
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1N=CC(Cl)=C(C1=O)C(=O)C
Tpsa:
78.26
Logp:
1.8825
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
1