![Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester structure](/static/products/962/96221-91-9.png)
Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester
TL;DR: Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester (CAS 96221-91-9) is a chemical compound with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(phenylcarbamothioylamino)benzoate
Also Known As: Maybridge1_003620, methyl 2-(phenylcarbamothioylamino)benzoate, N-o-Carbomethoxyphenyl-N'-phenylthiourea, Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester, methyl 2-{[(phenylamino)thioxomethyl]amino}benzoate
| Molecular Formula | C15H14N2O2S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 3.2821 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0776 |
| Heavy Atoms | 20 |
| Complexity | 614.2804 |
Chemical Identifiers
| CAS Number | 96221-91-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)NC2=CC=CC=C2 |
Product Overview
Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester (CAS 96221-91-9), with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol. IUPAC: methyl 2-(phenylcarbamothioylamino)benzoate.
Chemical Property Profile of Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester
Property Insights of Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester
The XLogP value of 3.2821 indicates that Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester has 2 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 Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester?
The CAS number of Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester is 96221-91-9.
What is the molecular formula of Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester?
The molecular formula of Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester is C15H14N2O2S.
What is the molecular weight of Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester?
The molecular weight of Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester is 286.08 g/mol.
Where can I buy Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester?
You can request a quote for Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.