Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester
TL;DR: Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester (CAS 77638-16-5) is a chemical compound with molecular formula C32H48O2S and molecular weight 496.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-pentylphenyl) 4-tetradecoxybenzenecarbothioate
Also Known As: J1.963.006D, S-(4-pentylphenyl) 4-tetradecoxybenzenecarbothioate, 4-n-pentylbenzenethio-4'-n-tetradecyloxybenzoate, Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester, S-(4-Pentylphenyl) 4-(tetradecyloxy)benzenecarbothioate
| Molecular Formula | C32H48O2S |
|---|---|
| Molecular Weight | 496.34 g/mol |
| LogP | 12.9 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 496.3375 |
| Heavy Atoms | 35 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 77638-16-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)CCCCC |
| InChIKey | GNSNEFSMVYSNMO-UHFFFAOYSA-N |
Product Overview
Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester (CAS 77638-16-5), with molecular formula C32H48O2S and molecular weight 496.34 g/mol. IUPAC: S-(4-pentylphenyl) 4-tetradecoxybenzenecarbothioate.
Chemical Property Profile of Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester
Property Insights of Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester
The XLogP value of 12.9 indicates that Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester?
The CAS number of Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester is 77638-16-5.
What is the molecular formula of Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester?
The molecular formula of Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester is C32H48O2S.
What is the molecular weight of Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester?
The molecular weight of Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester is 496.34 g/mol.
Where can I buy Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester?
You can request a quote for Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioic acid, 4-(tetradecyloxy)-, S-(4-pentylphenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.