Labdanic Acid Methyl Ester
TL;DR: Labdanic Acid Methyl Ester (CAS 10267-25-1) is a chemical compound with molecular formula C21H38O3 and molecular weight 338.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate
Also Known As: Labdanic Acid Methyl Ester, (8R,13S)-8-Hydroxylabdan-15-oic acid methyl ester, methyl (3S)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate, (1R,4aalpha,betaS)-Decahydro-2alpha-hydroxy-beta,2,5,5,8abeta-pentamethyl-1-naphthalenepentanoic acid methyl ester, Labdan-15-oic acid, 8-hydroxy-, methyl ester, (8R,13S)-
| Molecular Formula | C21H38O3 |
|---|---|
| Molecular Weight | 338.28 g/mol |
| LogP | 4.9594 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.2821 |
| Heavy Atoms | 24 |
| Complexity | 454.0002 |
Chemical Identifiers
| CAS Number | 10267-25-1 |
|---|---|
| SMILES | C[C@@H](CC[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C)CC(=O)OC |
Product Overview
Labdanic Acid Methyl Ester (CAS 10267-25-1), with molecular formula C21H38O3 and molecular weight 338.28 g/mol. IUPAC: methyl (3S)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate.
Chemical Property Profile of Labdanic Acid Methyl Ester
Property Insights of Labdanic Acid Methyl Ester
The XLogP value of 4.9594 indicates that Labdanic Acid Methyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Labdanic Acid Methyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Labdanic Acid Methyl Ester has 1 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 Labdanic Acid Methyl Ester?
The CAS number of Labdanic Acid Methyl Ester is 10267-25-1.
What is the molecular formula of Labdanic Acid Methyl Ester?
The molecular formula of Labdanic Acid Methyl Ester is C21H38O3.
What is the molecular weight of Labdanic Acid Methyl Ester?
The molecular weight of Labdanic Acid Methyl Ester is 338.28 g/mol.
Where can I buy Labdanic Acid Methyl Ester?
You can request a quote for Labdanic 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 Labdanic Acid Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Labdanic Acid Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.