3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate
TL;DR: 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate (CAS 69506-02-1) is a chemical compound with molecular formula C48H79ClO4 and molecular weight 754.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 17-(3-chloro-4-methoxyphenyl)heptadecanoate
Also Known As: 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate, Benzeneheptadecanoic acid, 3-chloro-4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester, [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 17-(3-chloro-4-methoxyphenyl)heptadecanoate, 17-(3-Chloro-4-methoxyphenyl)heptadecanoic acid 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester, 3-Chloro-4-methoxybenzeneheptadecanoic acid 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
| Molecular Formula | C48H79ClO4 |
|---|---|
| Molecular Weight | 754.57 g/mol |
| LogP | 19.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 34 |
| Exact Mass | 754.5667 |
| Heavy Atoms | 53 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 69506-02-1 |
|---|---|
| SMILES | CC(C)CCCCCCCCC1=C(C=C(C=C1OC(=O)CCCCCCCCCCCCCCCCC2=CC(=C(C=C2)OC)Cl)CCCC(C)C)OC |
| InChIKey | IXZVCNZMEBNRSM-UHFFFAOYSA-N |
Product Overview
3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate (CAS 69506-02-1), with molecular formula C48H79ClO4 and molecular weight 754.57 g/mol. IUPAC: [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 17-(3-chloro-4-methoxyphenyl)heptadecanoate.
Chemical Property Profile of 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate
Property Insights of 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate
The XLogP value of 19.6 indicates that 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate 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 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate?
The CAS number of 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate is 69506-02-1.
What is the molecular formula of 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate?
The molecular formula of 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate is C48H79ClO4.
What is the molecular weight of 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate?
The molecular weight of 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate is 754.57 g/mol.
Where can I buy 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate?
You can request a quote for 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.