CS-1001951
(11β,16α,17α)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-4,6-diene-17-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1687742-60-4
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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
C₂₁H₂₆F₂O₅
Molecular Weight
396.42
Synonyms
None
SMILES
C[C@@]12[C@]([C@]3([C@](F)([C@@H](O)C1)[C@]4(C)C(C(F)=C3)=CC(=O)CC4)[H])(C[C@@H](C)[C@@]2(C(O)=O)O)[H]
Tpsa
94.83
Logp
2.7161
H Acceptors
4
H Donors
3
Rotatable Bonds
1
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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: C₂₁H₂₆F₂O₅
Molecular Weight: 396.42
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@](F)([C@@H](O)C1)[C@]4(C)C(C(F)=C3)=CC(=O)CC4)[H])(C[C@@H](C)[C@@]2(C(O)=O)O)[H]
Tpsa: 94.83
Logp: 2.7161
H Acceptors: 4
H Donors: 3
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:
C₂₁H₂₆F₂O₅
Molecular Weight:
396.42
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@](F)([C@@H](O)C1)[C@]4(C)C(C(F)=C3)=CC(=O)CC4)[H])(C[C@@H](C)[C@@]2(C(O)=O)O)[H]
Tpsa:
94.83
Logp:
2.7161
H Acceptors:
4
H Donors:
3
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: C₂₁H₂₈Br₂F₂O₅
Molecular Weight: 558.25
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(O)=O)(O)[C@H](C)C3)[H])(C[C@H](F)C4([C@]2(C)CC(Br)C(=O)C4Br)[H])[H]
Tpsa: 94.83
Logp: 3.4176
H Acceptors: 4
H Donors: 3
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:
C₂₁H₂₈Br₂F₂O₅
Molecular Weight:
558.25
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(O)=O)(O)[C@H](C)C3)[H])(C[C@H](F)C4([C@]2(C)CC(Br)C(=O)C4Br)[H])[H]
Tpsa:
94.83
Logp:
3.4176
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₀O₂S
Molecular Weight: 182.24
Synonyms: None
SMILES: O=C(SCC)C1=CC=C(O)C=C1
Tpsa: 37.3
Logp: 2.2855
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀O₂S
Molecular Weight:
182.24
Synonyms:
None
SMILES:
O=C(SCC)C1=CC=C(O)C=C1
Tpsa:
37.3
Logp:
2.2855
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: C₁₆H₁₈N₂O
Molecular Weight: 254.33
Synonyms: None
SMILES: O=C(NCCC1=CC=C(N)C=C1)CC=2C=CC=CC2
Tpsa: 55.12
Logp: 2.1702
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈N₂O
Molecular Weight:
254.33
Synonyms:
None
SMILES:
O=C(NCCC1=CC=C(N)C=C1)CC=2C=CC=CC2
Tpsa:
55.12
Logp:
2.1702
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
5