2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester
TL;DR: 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester (CAS 69505-91-5) is a chemical compound with molecular formula C46H59ClO4 and molecular weight 710.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-decyl-3-methoxy-5-pentylphenyl) (2E,4E,6E,8E,10E,12E,14E,16E)-17-(3-chloro-4-methoxyphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate
Also Known As: 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester, 17- -2,4,6,8,10,12,14,16-heptadecaoctaenoicacid2-decyl-3-methoxy-5-pentylphenylester, (2-decyl-3-methoxy-5-pentylphenyl) (2E,4E,6E,8E,10E,12E,14E,16E)-17-(3-chloro-4-methoxyphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate, 17-(3-Chloro-4-methoxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoic acid 2-decyl-3-methoxy-5-pentylphenyl ester, 2-Decyl-3-methoxy-5-pentylphenyl (2E,4E,6E,8E,10E,12E,14E,16E)-17-(3-chloro-4-methoxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoate #
| Molecular Formula | C46H59ClO4 |
|---|---|
| Molecular Weight | 710.41 g/mol |
| LogP | 13.2853 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 710.4102 |
| Heavy Atoms | 51 |
| Complexity | 1519.8829 |
Chemical Identifiers
| CAS Number | 69505-91-5 |
|---|---|
| SMILES | CCCCCCCCCCC1=C(C=C(C=C1OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C2=CC(=C(C=C2)OC)Cl)CCCCC)OC |
Product Overview
2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester (CAS 69505-91-5), with molecular formula C46H59ClO4 and molecular weight 710.41 g/mol. IUPAC: (2-decyl-3-methoxy-5-pentylphenyl) (2E,4E,6E,8E,10E,12E,14E,16E)-17-(3-chloro-4-methoxyphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate.
Chemical Property Profile of 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester
Property Insights of 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester
The XLogP value of 13.2853 indicates that 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 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 44.76 Ų, 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 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 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester?
The CAS number of 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester is 69505-91-5.
What is the molecular formula of 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester?
The molecular formula of 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester is C46H59ClO4.
What is the molecular weight of 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester?
The molecular weight of 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester is 710.41 g/mol.
Where can I buy 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester?
You can request a quote for 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 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 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(3-chloro-4-methoxyphenyl)-, 2-decyl-3-methoxy-5-pentylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.