CS-1000438
Pregna-1,4,6-triene-3,20-dione, 11α,17,21-trihydroxy-
Manufacturer: ChemScene
CAS Number: 111186-94-8
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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
C₂₁H₂₆O₅
Molecular Weight
358.43
Synonyms
None
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C=C3)=CC(=O)C=C4)([C@H](O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Tpsa
94.83
Logp
1.3336
H Acceptors
5
H Donors
3
Rotatable Bonds
2
SAFETY INFORMATION
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: C₂₁H₂₆O₅
Molecular Weight: 358.43
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C=C3)=CC(=O)C=C4)([C@H](O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Tpsa: 94.83
Logp: 1.3336
H Acceptors: 5
H Donors: 3
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:
C₂₁H₂₆O₅
Molecular Weight:
358.43
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C=C3)=CC(=O)C=C4)([C@H](O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Tpsa:
94.83
Logp:
1.3336
H Acceptors:
5
H Donors:
3
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: C₁₇H₁₉ClFN₃O₃
Molecular Weight: 367.80
Synonyms: None
SMILES: O=C(O)C1=CN(C2=C(Cl)C(=C(F)C=C2C1=O)N3CCNC(C)C3)CC
Tpsa: 74.57
Logp: 2.3102
H Acceptors: 5
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:
C₁₇H₁₉ClFN₃O₃
Molecular Weight:
367.80
Synonyms:
None
SMILES:
O=C(O)C1=CN(C2=C(Cl)C(=C(F)C=C2C1=O)N3CCNC(C)C3)CC
Tpsa:
74.57
Logp:
2.3102
H Acceptors:
5
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: C₅₁H₅₇Cl₆NO₁₉
Molecular Weight: 1200.71
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](OC(OCC(Cl)(Cl)Cl)=O)C[C@]1(OC2)[H])C(=O)[C@H](OC(OCC(Cl)(Cl)Cl)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)OC(C)=O)=O)C4C)[H]
Tpsa: 261.12
Logp: 8.8926
H Acceptors: 19
H Donors: 2
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₁H₅₇Cl₆NO₁₉
Molecular Weight:
1200.71
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](OC(OCC(Cl)(Cl)Cl)=O)C[C@]1(OC2)[H])C(=O)[C@H](OC(OCC(Cl)(Cl)Cl)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)OC(C)=O)=O)C4C)[H]
Tpsa:
261.12
Logp:
8.8926
H Acceptors:
19
H Donors:
2
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₈O₅
Molecular Weight: 372.45
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@H](C)C3)=CC(=O)C=C4)(C(=O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Tpsa: 91.67
Logp: 2.0118
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:
C₂₂H₂₈O₅
Molecular Weight:
372.45
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@H](C)C3)=CC(=O)C=C4)(C(=O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Tpsa:
91.67
Logp:
2.0118
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2