Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)-
TL;DR: Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)- (CAS 129658-25-9) is a chemical compound with molecular formula C17H26O4S and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)acetic acid
Also Known As: 2-(4-(Heptylthio)-2,5-dimethoxyphenyl)acetic acid, 2,5-Dimethoxy-4-(heptylthio)benzeneacetic acid, Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)-, [4-(heptylsulfanyl)-2,5-dimethoxyphenyl]acetic acid, 2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)acetic acid
| Molecular Formula | C17H26O4S |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 4.3934 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 326.15518 |
| Heavy Atoms | 22 |
| Complexity | 473.9719 |
Chemical Identifiers
| CAS Number | 129658-25-9 |
|---|---|
| SMILES | CCCCCCCSC1=C(C=C(C(=C1)OC)CC(=O)O)OC |
Product Overview
Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)- (CAS 129658-25-9), with molecular formula C17H26O4S and molecular weight 326.16 g/mol. IUPAC: 2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)acetic acid.
Chemical Property Profile of Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)-
Property Insights of Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)-
The XLogP value of 4.3934 indicates that Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)- has 1 hydrogen bond donor(s) and 4 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 Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)-?
The CAS number of Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)- is 129658-25-9.
What is the molecular formula of Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)-?
The molecular formula of Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)- is C17H26O4S.
What is the molecular weight of Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)-?
The molecular weight of Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)- is 326.16 g/mol.
Where can I buy Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)-?
You can request a quote for Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2,5-dimethoxy-4-(heptylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.