![3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid structure](/static/products/3480/34804-73-4.webp)
3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid
TL;DR: 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid (CAS 34804-73-4) is a chemical compound with molecular formula C19H30O4 and molecular weight 322.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
Also Known As: 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid, 3-(3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octah, 3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
| Molecular Formula | C19H30O4 |
|---|---|
| Molecular Weight | 322.21 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.21442 |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 34804-73-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC(=O)[C@]3(C)CCC(=O)O |
| InChIKey | UYMHYRPSWIDDSO-TULRTYAESA-N |
Product Overview
3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid (CAS 34804-73-4), with molecular formula C19H30O4 and molecular weight 322.21 g/mol. IUPAC: 3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid.
Chemical Property Profile of 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid
Property Insights of 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid?
The CAS number of 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid is 34804-73-4.
What is the molecular formula of 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid?
The molecular formula of 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid is C19H30O4.
What is the molecular weight of 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid?
The molecular weight of 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid is 322.21 g/mol.
Where can I buy 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid?
You can request a quote for 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.