CS-0542688
(5S,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyltetradecahydro-3H-cyclopenta[a]phenanthrene-3,11(2H)-dione
Manufacturer: ChemScene
CAS Number: 2089-06-7
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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
C₂₁H₃₀O₃
Molecular Weight
330.46
Synonyms
5A-pregnane-3,11,20-trione
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
Tpsa
51.21
Logp
3.9824
H Acceptors
3
H Donors
0
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2089-06-7 | ALLOPREGNANETRIONE | A2B Chem | ₹ 50,822.64 - ₹ 86,415.60 |
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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: C₂₁H₃₀O₃
Molecular Weight: 330.46
Synonyms: 5A-pregnane-3,11,20-trione
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
Tpsa: 51.21
Logp: 3.9824
H Acceptors: 3
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:
C₂₁H₃₀O₃
Molecular Weight:
330.46
Synonyms:
5A-pregnane-3,11,20-trione
SMILES:
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
Tpsa:
51.21
Logp:
3.9824
H Acceptors:
3
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: C₃₄H₃₁N₄Na₃O₇
Molecular Weight: 676.60
Synonyms: trisodium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-8-vinyl-21H,23H-porphine-2-propionate
SMILES: CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=CC5=NC(=CC(=N2)C1=C[O-])C(=C5C)C=C)N4)C)CCC(=O)[O-])CC(=O)[O-])C(=O)O)C.[Na+].[Na+].[Na+]
Tpsa: 189.73
Logp: -7.3809
H Acceptors: 10
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:
C₃₄H₃₁N₄Na₃O₇
Molecular Weight:
676.60
Synonyms:
trisodium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-8-vinyl-21H,23H-porphine-2-propionate
SMILES:
CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=CC5=NC(=CC(=N2)C1=C[O-])C(=C5C)C=C)N4)C)CCC(=O)[O-])CC(=O)[O-])C(=O)O)C.[Na+].[Na+].[Na+]
Tpsa:
189.73
Logp:
-7.3809
H Acceptors:
10
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: C₁₃H₁₁ClFNO₂
Molecular Weight: 267.68
Synonyms: None
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3F)Cl)C(=O)O
Tpsa: 49.33
Logp: 3.0175
H Acceptors: 2
H Donors: 2
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:
C₁₃H₁₁ClFNO₂
Molecular Weight:
267.68
Synonyms:
None
SMILES:
C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3F)Cl)C(=O)O
Tpsa:
49.33
Logp:
3.0175
H Acceptors:
2
H Donors:
2
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: C₁₄H₁₄N₂O₅
Molecular Weight: 290.27
Synonyms: None
SMILES: COC1=CC2=C(C(=C1)[N+](=O)[O-])N[C@@H]([C@H]3[C@@H]2C=CC3)C(=O)O
Tpsa: 101.7
Logp: 2.1418
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:
C₁₄H₁₄N₂O₅
Molecular Weight:
290.27
Synonyms:
None
SMILES:
COC1=CC2=C(C(=C1)[N+](=O)[O-])N[C@@H]([C@H]3[C@@H]2C=CC3)C(=O)O
Tpsa:
101.7
Logp:
2.1418
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3