methyl 2-anilinosulfanylbenzoate
TL;DR: methyl 2-anilinosulfanylbenzoate (CAS 34757-99-8) is a chemical compound with molecular formula C14H13NO2S and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-anilinosulfanylbenzoate
Also Known As: methyl 2-anilinosulfanylbenzoate, Methyl 2-(anilinosulfanyl)benzoate, methyl 2-(phenylaminothio)benzoate, methyl 2-[(phenylamino)sulfanyl]benzoate, Methyl 2-(anilinosulfanyl)benzoate #
| Molecular Formula | C14H13NO2S |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.0667 |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 34757-99-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SNC2=CC=CC=C2 |
| InChIKey | RXQDWALLLVIUHZ-UHFFFAOYSA-N |
Product Overview
methyl 2-anilinosulfanylbenzoate (CAS 34757-99-8), with molecular formula C14H13NO2S and molecular weight 259.07 g/mol. IUPAC: methyl 2-anilinosulfanylbenzoate.
Chemical Property Profile of methyl 2-anilinosulfanylbenzoate
Property Insights of methyl 2-anilinosulfanylbenzoate
The XLogP value of 3.8 indicates that methyl 2-anilinosulfanylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-anilinosulfanylbenzoate. Following Lipinski's Rule of Five, methyl 2-anilinosulfanylbenzoate 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 methyl 2-anilinosulfanylbenzoate?
The CAS number of methyl 2-anilinosulfanylbenzoate is 34757-99-8.
What is the molecular formula of methyl 2-anilinosulfanylbenzoate?
The molecular formula of methyl 2-anilinosulfanylbenzoate is C14H13NO2S.
What is the molecular weight of methyl 2-anilinosulfanylbenzoate?
The molecular weight of methyl 2-anilinosulfanylbenzoate is 259.07 g/mol.
Where can I buy methyl 2-anilinosulfanylbenzoate?
You can request a quote for methyl 2-anilinosulfanylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-anilinosulfanylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-anilinosulfanylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.