Benzcarbothioanilide deriv.
TL;DR: Benzcarbothioanilide deriv. (CAS 135812-55-4) is a chemical compound with molecular formula C18H18ClNO2S and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-5-[(2-methylbenzenecarbothioyl)amino]benzoate
Also Known As: Benzcarbothioanilide deriv., Benzoic acid, 2-chloro-5-(((2-methylphenyl)thioxomethyl)amino)-, 1-methylethyl ester, isopropyl 2-chloro-5-[(2-methylbenzenecarbothioyl)amino]benzoate, propan-2-yl 2-chloro-5-[(2-methylbenzenecarbothioyl)amino]benzoate, Propan-2-yl 2-chloro-5-[(2-methylbenzene-1-carbothioyl)amino]benzoate
| Molecular Formula | C18H18ClNO2S |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 5.00122 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.07468 |
| Heavy Atoms | 23 |
| Complexity | 743.5515 |
Chemical Identifiers
| CAS Number | 135812-55-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C |
Product Overview
Benzcarbothioanilide deriv. (CAS 135812-55-4), with molecular formula C18H18ClNO2S and molecular weight 347.07 g/mol. IUPAC: propan-2-yl 2-chloro-5-[(2-methylbenzenecarbothioyl)amino]benzoate.
Chemical Property Profile of Benzcarbothioanilide deriv.
Property Insights of Benzcarbothioanilide deriv.
The XLogP value of 5.00122 indicates that Benzcarbothioanilide deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Benzcarbothioanilide deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzcarbothioanilide deriv. has 1 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 Benzcarbothioanilide deriv.?
The CAS number of Benzcarbothioanilide deriv. is 135812-55-4.
What is the molecular formula of Benzcarbothioanilide deriv.?
The molecular formula of Benzcarbothioanilide deriv. is C18H18ClNO2S.
What is the molecular weight of Benzcarbothioanilide deriv.?
The molecular weight of Benzcarbothioanilide deriv. is 347.07 g/mol.
Where can I buy Benzcarbothioanilide deriv.?
You can request a quote for Benzcarbothioanilide deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzcarbothioanilide deriv.?
Yes, KEHONG BIO provides custom synthesis services for Benzcarbothioanilide deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.