CS-0914195
(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-((furan-2- carbonyl)oxy)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10, 11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene- 17-carboxylic dimethylcarbamic thioanhydride
Manufacturer: ChemScene
CAS Number: 948565-92-2
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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
C₂₉H₃₃F₂NO₇S
Molecular Weight
577.64
Synonyms
None
SMILES
O(C(=O)C1=CC=CO1)[C@@]2(C(SC(N(C)C)=O)=O)[C@]3(C)[C@@](C[C@H]2C)([C@]4([C@](F)([C@@H](O)C3)[C@]5(C)C([C@@H](F)C4)=CC(=O)C=C5)[H])[H]
Tpsa
114.12
Logp
4.6814
H Acceptors
8
H Donors
1
Rotatable Bonds
3
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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: C₂₉H₃₃F₂NO₇S
Molecular Weight: 577.64
Synonyms: None
SMILES: O(C(=O)C1=CC=CO1)[C@@]2(C(SC(N(C)C)=O)=O)[C@]3(C)[C@@](C[C@H]2C)([C@]4([C@](F)([C@@H](O)C3)[C@]5(C)C([C@@H](F)C4)=CC(=O)C=C5)[H])[H]
Tpsa: 114.12
Logp: 4.6814
H Acceptors: 8
H Donors: 1
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:
C₂₉H₃₃F₂NO₇S
Molecular Weight:
577.64
Synonyms:
None
SMILES:
O(C(=O)C1=CC=CO1)[C@@]2(C(SC(N(C)C)=O)=O)[C@]3(C)[C@@](C[C@H]2C)([C@]4([C@](F)([C@@H](O)C3)[C@]5(C)C([C@@H](F)C4)=CC(=O)C=C5)[H])[H]
Tpsa:
114.12
Logp:
4.6814
H Acceptors:
8
H Donors:
1
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: C₁₃H₂₁NO₅S₂
Molecular Weight: 335.44
Synonyms: None
SMILES: O=C(O)C1N(C(=O)C(C)CSSCC(C(=O)O)C)CCC1
Tpsa: 94.91
Logp: 1.8002
H Acceptors: 5
H Donors: 2
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:
C₁₃H₂₁NO₅S₂
Molecular Weight:
335.44
Synonyms:
None
SMILES:
O=C(O)C1N(C(=O)C(C)CSSCC(C(=O)O)C)CCC1
Tpsa:
94.91
Logp:
1.8002
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
8
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₇F₂N₃O₅
Molecular Weight: 405.35
Synonyms: None
SMILES: O=C1C=2N(C[C@]3(N1[C@@H](C)CO3)[H])C=C(C(NCC4=C(F)C=C(F)C=C4)=O)C(=O)C2O
Tpsa: 100.87
Logp: 0.9627
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₇F₂N₃O₅
Molecular Weight:
405.35
Synonyms:
None
SMILES:
O=C1C=2N(C[C@]3(N1[C@@H](C)CO3)[H])C=C(C(NCC4=C(F)C=C(F)C=C4)=O)C(=O)C2O
Tpsa:
100.87
Logp:
0.9627
H Acceptors:
6
H Donors:
2
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: C₁₉H₁₇F₂N₃O₅
Molecular Weight: 405.35
Synonyms: None
SMILES: O=C1C=2N(C[C@]3(N1[C@H](C)CO3)[H])C=C(C(NCC4=C(F)C=C(F)C=C4)=O)C(=O)C2O
Tpsa: 100.87
Logp: 0.9627
H Acceptors: 6
H Donors: 2
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:
C₁₉H₁₇F₂N₃O₅
Molecular Weight:
405.35
Synonyms:
None
SMILES:
O=C1C=2N(C[C@]3(N1[C@H](C)CO3)[H])C=C(C(NCC4=C(F)C=C(F)C=C4)=O)C(=O)C2O
Tpsa:
100.87
Logp:
0.9627
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
3