![2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid structure](/static/products/1168/116807-23-9.webp)
2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid
TL;DR: 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid (CAS 116807-23-9) is a chemical compound with molecular formula C19H28O5 and molecular weight 336.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(carboxymethyl)-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-yl]acetic acid
Also Known As: 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid, 17-Oxo-2,3-seco-5-androstan-2,3-dioic acid, 2,3-Seco-5-androstan-17-one-2,3-dicarboxylic acid, 2-[6-(carboxymethyl)-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-yl]acetic acid, 2,3-SECO-5A-ANDROSTANE-17-ONE-2,3-DIOIC ACID
| Molecular Formula | C19H28O5 |
|---|---|
| Molecular Weight | 336.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.19366 |
| Heavy Atoms | 24 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 116807-23-9 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC(C3(C)CC(=O)O)CC(=O)O |
| InChIKey | CEUQHWSIXGFNGI-UHFFFAOYSA-N |
Product Overview
2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid (CAS 116807-23-9), with molecular formula C19H28O5 and molecular weight 336.19 g/mol. IUPAC: 2-[6-(carboxymethyl)-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-yl]acetic acid.
Chemical Property Profile of 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid
Property Insights of 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid. Following Lipinski's Rule of Five, 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid has 2 hydrogen bond donor(s) and 5 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 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid?
The CAS number of 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid is 116807-23-9.
What is the molecular formula of 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid?
The molecular formula of 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid is C19H28O5.
What is the molecular weight of 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid?
The molecular weight of 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid is 336.19 g/mol.
Where can I buy 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid?
You can request a quote for 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.