Decanoic acid,1-methylethyl ester
TL;DR: Decanoic acid,1-methylethyl ester (CAS 2628-58-2) is a chemical compound with molecular formula C22H30O3 and molecular weight 342.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-3,3'-dione
Also Known As: Decanoic acid,1-methylethyl ester, KST-1A3277, (8r,9s,10r,13s,14s,17r)-10,13-dimethyl-1,4',5',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,3'(2h)-dione, (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-3,3'-dione, (1R,3aS,3bR,9aR,9bS,11aS)-9a,11a-Dimethyl-2,3,3a,4,5,8,9,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-3',7(3bH)-dione
| Molecular Formula | C22H30O3 |
|---|---|
| Molecular Weight | 342.22 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 342.21948 |
| Heavy Atoms | 25 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 2628-58-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]45C(=O)CCO5)C |
| InChIKey | RWDIZJOORSGFGK-LHZXLZLDSA-N |
Product Overview
Decanoic acid,1-methylethyl ester (CAS 2628-58-2), with molecular formula C22H30O3 and molecular weight 342.22 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-3,3'-dione.
Chemical Property Profile of Decanoic acid,1-methylethyl ester
Property Insights of Decanoic acid,1-methylethyl ester
The XLogP value of 3.5 indicates that Decanoic acid,1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Decanoic acid,1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decanoic acid,1-methylethyl ester has 0 hydrogen bond donor(s) and 3 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 Decanoic acid,1-methylethyl ester?
The CAS number of Decanoic acid,1-methylethyl ester is 2628-58-2.
What is the molecular formula of Decanoic acid,1-methylethyl ester?
The molecular formula of Decanoic acid,1-methylethyl ester is C22H30O3.
What is the molecular weight of Decanoic acid,1-methylethyl ester?
The molecular weight of Decanoic acid,1-methylethyl ester is 342.22 g/mol.
Where can I buy Decanoic acid,1-methylethyl ester?
You can request a quote for Decanoic acid,1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decanoic acid,1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid,1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.