CS-1001167
Pregna-1,4-diene-3,20-dione, 2-chloro-21-[(6α,11β,16α)-2-chloro-6,9-difluoro-11,17,21-trihydroxy-16-methyl-3,20-dioxopregn-4-en-2-yl]-6,9-difluoro-11,17,21-dihydroxy-16-methyl-, (6α,11β,16α)-
Manufacturer: ChemScene
CAS Number: 136154-83-1
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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
C₄₄H₅₄Cl₂F₄O₁₀
Molecular Weight
889.79
Synonyms
None
SMILES
O=C1C=C2C(F)CC3C4CC(C)C(O)(C(=O)C(O)C5(Cl)C(=O)C=C6C(F)CC7C8CC(C)C(O)(C(=O)CO)C8(C)CC(O)C7(F)C6(C)C5)C4(C)CC(O)C3(F)C2(C=C1Cl)C
Tpsa
189.66
Logp
4.4476
H Acceptors
10
H Donors
6
Rotatable Bonds
5
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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: C₄₄H₅₄Cl₂F₄O₁₀
Molecular Weight: 889.79
Synonyms: None
SMILES: O=C1C=C2C(F)CC3C4CC(C)C(O)(C(=O)C(O)C5(Cl)C(=O)C=C6C(F)CC7C8CC(C)C(O)(C(=O)CO)C8(C)CC(O)C7(F)C6(C)C5)C4(C)CC(O)C3(F)C2(C=C1Cl)C
Tpsa: 189.66
Logp: 4.4476
H Acceptors: 10
H Donors: 6
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:
C₄₄H₅₄Cl₂F₄O₁₀
Molecular Weight:
889.79
Synonyms:
None
SMILES:
O=C1C=C2C(F)CC3C4CC(C)C(O)(C(=O)C(O)C5(Cl)C(=O)C=C6C(F)CC7C8CC(C)C(O)(C(=O)CO)C8(C)CC(O)C7(F)C6(C)C5)C4(C)CC(O)C3(F)C2(C=C1Cl)C
Tpsa:
189.66
Logp:
4.4476
H Acceptors:
10
H Donors:
6
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₁₀O₄
Molecular Weight: 134.13
Synonyms: None
SMILES: OCC1(O)OCC(O)C1
Tpsa: 69.92
Logp: -1.5515
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₀O₄
Molecular Weight:
134.13
Synonyms:
None
SMILES:
OCC1(O)OCC(O)C1
Tpsa:
69.92
Logp:
-1.5515
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: C₂₈H₂₇N₃O₆
Molecular Weight: 501.53
Synonyms: None
SMILES: N#CC=1C=CC=CC1C=2C=CC(=CC2)CN(C(=O)OC(C)(C)C)C=3C(=CC=CC3N(=O)=O)C(=O)OCC
Tpsa: 122.77
Logp: 6.25188
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₇N₃O₆
Molecular Weight:
501.53
Synonyms:
None
SMILES:
N#CC=1C=CC=CC1C=2C=CC(=CC2)CN(C(=O)OC(C)(C)C)C=3C(=CC=CC3N(=O)=O)C(=O)OCC
Tpsa:
122.77
Logp:
6.25188
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₀ClN
Molecular Weight: 227.69
Synonyms: None
SMILES: N#CC=1C=CC=CC1C=2C=CC(=CC2)CCl
Tpsa: 23.79
Logp: 3.96408
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₀ClN
Molecular Weight:
227.69
Synonyms:
None
SMILES:
N#CC=1C=CC=CC1C=2C=CC(=CC2)CCl
Tpsa:
23.79
Logp:
3.96408
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
2