17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester
TL;DR: 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester (CAS 69505-99-3) is a chemical compound with molecular formula C46H75ClO4 and molecular weight 726.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-decyl-3-methoxy-5-pentylphenyl) 17-(3-chloro-4-methoxyphenyl)heptadecanoate
Also Known As: 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester, 2-Decyl-3-methoxy-5-pentylphenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate, Benzeneheptadecanoic acid, 3-chloro-4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester, (2-decyl-3-methoxy-5-pentylphenyl) 17-(3-chloro-4-methoxyphenyl)heptadecanoate, 17-(3-Chloro-4-methoxyphenyl)heptadecanoic acid 2-decyl-3-methoxy-5-pentylphenyl ester
| Molecular Formula | C46H75ClO4 |
|---|---|
| Molecular Weight | 726.54 g/mol |
| LogP | 19.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 34 |
| Exact Mass | 726.5354 |
| Heavy Atoms | 51 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 69505-99-3 |
|---|---|
| SMILES | CCCCCCCCCCC1=C(C=C(C=C1OC(=O)CCCCCCCCCCCCCCCCC2=CC(=C(C=C2)OC)Cl)CCCCC)OC |
| InChIKey | NORJJZCWAXKIOH-UHFFFAOYSA-N |
Product Overview
17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester (CAS 69505-99-3), with molecular formula C46H75ClO4 and molecular weight 726.54 g/mol. IUPAC: (2-decyl-3-methoxy-5-pentylphenyl) 17-(3-chloro-4-methoxyphenyl)heptadecanoate.
Chemical Property Profile of 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester
Property Insights of 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester
The XLogP value of 19.1 indicates that 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester 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 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester?
The CAS number of 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester is 69505-99-3.
What is the molecular formula of 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester?
The molecular formula of 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester is C46H75ClO4.
What is the molecular weight of 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester?
The molecular weight of 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester is 726.54 g/mol.
Where can I buy 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester?
You can request a quote for 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester?
Yes, KEHONG BIO provides custom synthesis services for 17- heptadecanoicacid2-decyl-3-methoxy-5-pentylphenylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.