ent-15-Oxo-kaur-16-en-19-oic acid methyl ester
TL;DR: ent-15-Oxo-kaur-16-en-19-oic acid methyl ester (CAS 22376-47-2) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,4S,5R,9S,10S,13R)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Also Known As: Diterpene deriv., ent-15-Oxo-kaur-16-en-19-oic acid methyl ester, Methyl 15-oxokaur-16-en-18-oate, Kaur-16-en-18-oic acid, 15-oxo-, methyl ester, (4a)-, methyl dimethyl-methylene-oxo-[?]carboxylate
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 22376-47-2 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4=O)(C)C(=O)OC |
| InChIKey | VGIYQTCUAQAPCL-KLSAVCNVSA-N |
Product Overview
ent-15-Oxo-kaur-16-en-19-oic acid methyl ester (CAS 22376-47-2), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: methyl (1R,4S,5R,9S,10S,13R)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate.
Chemical Property Profile of ent-15-Oxo-kaur-16-en-19-oic acid methyl ester
Property Insights of ent-15-Oxo-kaur-16-en-19-oic acid methyl ester
The XLogP value of 4.7 indicates that ent-15-Oxo-kaur-16-en-19-oic acid methyl 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, ent-15-Oxo-kaur-16-en-19-oic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ent-15-Oxo-kaur-16-en-19-oic acid methyl 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 ent-15-Oxo-kaur-16-en-19-oic acid methyl ester?
The CAS number of ent-15-Oxo-kaur-16-en-19-oic acid methyl ester is 22376-47-2.
What is the molecular formula of ent-15-Oxo-kaur-16-en-19-oic acid methyl ester?
The molecular formula of ent-15-Oxo-kaur-16-en-19-oic acid methyl ester is C21H30O3.
What is the molecular weight of ent-15-Oxo-kaur-16-en-19-oic acid methyl ester?
The molecular weight of ent-15-Oxo-kaur-16-en-19-oic acid methyl ester is 330.22 g/mol.
Where can I buy ent-15-Oxo-kaur-16-en-19-oic acid methyl ester?
You can request a quote for ent-15-Oxo-kaur-16-en-19-oic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ent-15-Oxo-kaur-16-en-19-oic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for ent-15-Oxo-kaur-16-en-19-oic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.