Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
TL;DR: Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester (CAS 71142-40-0) is a chemical compound with molecular formula C42H68O4 and molecular weight 636.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-decyl-3-methoxy-5-pentylphenyl) 13-(4-methoxyphenyl)tridecanoate
Also Known As: 13- tridecanoicacid2-decyl-3-methoxy-5-pentylphenylester, 2-Decyl-3-methoxy-5-pentylphenyl 13-(4-methoxyphenyl)tridecanoate, Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester, (2-decyl-3-methoxy-5-pentylphenyl) 13-(4-methoxyphenyl)tridecanoate, 2-Decyl-3-methoxy-5-pentylphenyl 13-(4-methoxyphenyl)tridecanoate #
| Molecular Formula | C42H68O4 |
|---|---|
| Molecular Weight | 636.51 g/mol |
| LogP | 16.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 30 |
| Exact Mass | 636.5118 |
| Heavy Atoms | 46 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 71142-40-0 |
|---|---|
| SMILES | CCCCCCCCCCC1=C(C=C(C=C1OC(=O)CCCCCCCCCCCCC2=CC=C(C=C2)OC)CCCCC)OC |
| InChIKey | HTZFCUVESFDUKL-UHFFFAOYSA-N |
Product Overview
Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester (CAS 71142-40-0), with molecular formula C42H68O4 and molecular weight 636.51 g/mol. IUPAC: (2-decyl-3-methoxy-5-pentylphenyl) 13-(4-methoxyphenyl)tridecanoate.
Chemical Property Profile of Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
Property Insights of Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
The XLogP value of 16.3 indicates that Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester?
The CAS number of Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester is 71142-40-0.
What is the molecular formula of Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester?
The molecular formula of Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester is C42H68O4.
What is the molecular weight of Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester?
The molecular weight of Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester is 636.51 g/mol.
Where can I buy Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester?
You can request a quote for Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.