S-(5-benzamidopentyl) benzenecarbothioate
TL;DR: S-(5-benzamidopentyl) benzenecarbothioate (CAS 30771-96-1) is a chemical compound with molecular formula C19H21NO2S and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(5-benzamidopentyl) benzenecarbothioate
Also Known As: S-(5-benzamidopentyl) benzenecarbothioate
| Molecular Formula | C19H21NO2S |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 327.1293 |
| Heavy Atoms | 23 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 30771-96-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCCCCCSC(=O)C2=CC=CC=C2 |
| InChIKey | MUDJBZKMDLNFRK-UHFFFAOYSA-N |
Product Overview
S-(5-benzamidopentyl) benzenecarbothioate (CAS 30771-96-1), with molecular formula C19H21NO2S and molecular weight 327.13 g/mol. IUPAC: S-(5-benzamidopentyl) benzenecarbothioate.
Chemical Property Profile of S-(5-benzamidopentyl) benzenecarbothioate
Property Insights of S-(5-benzamidopentyl) benzenecarbothioate
The XLogP value of 4.4 indicates that S-(5-benzamidopentyl) benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(5-benzamidopentyl) benzenecarbothioate. Following Lipinski's Rule of Five, S-(5-benzamidopentyl) benzenecarbothioate has 1 hydrogen bond donor(s) and 3 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 S-(5-benzamidopentyl) benzenecarbothioate?
The CAS number of S-(5-benzamidopentyl) benzenecarbothioate is 30771-96-1.
What is the molecular formula of S-(5-benzamidopentyl) benzenecarbothioate?
The molecular formula of S-(5-benzamidopentyl) benzenecarbothioate is C19H21NO2S.
What is the molecular weight of S-(5-benzamidopentyl) benzenecarbothioate?
The molecular weight of S-(5-benzamidopentyl) benzenecarbothioate is 327.13 g/mol.
Where can I buy S-(5-benzamidopentyl) benzenecarbothioate?
You can request a quote for S-(5-benzamidopentyl) benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(5-benzamidopentyl) benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(5-benzamidopentyl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.