![3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate structure](/static/products/3780/37801-32-4.webp)
3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate
TL;DR: 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate (CAS 37801-32-4) is a chemical compound with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(methylsulfanylcarbonylamino)phenyl] N-tert-butylcarbamate
Also Known As: Carbamic acid,acetylbutyl-,3-aminophenyl ester, [3-(methylsulfanylcarbonylamino)phenyl] N-tert-butylcarbamate, 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate, [3-(methylsulfanylcarbonylamino)phenyl] N-tert-butylcarbamat, Carbamic acid, (1,1-dimethylethyl)-, 3-[[(methylthio)carbonyl]amino]phenyl ester (9CI)
| Molecular Formula | C13H18N2O3S |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.10382 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 37801-32-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OC1=CC=CC(=C1)NC(=O)SC |
| InChIKey | OWHCYCLULKKBQZ-UHFFFAOYSA-N |
Product Overview
3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate (CAS 37801-32-4), with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol. IUPAC: [3-(methylsulfanylcarbonylamino)phenyl] N-tert-butylcarbamate.
Chemical Property Profile of 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate
Property Insights of 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate. Following Lipinski's Rule of Five, 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate has 2 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 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate?
The CAS number of 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate is 37801-32-4.
What is the molecular formula of 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate?
The molecular formula of 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate is C13H18N2O3S.
What is the molecular weight of 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate?
The molecular weight of 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate is 282.10 g/mol.
Where can I buy 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate?
You can request a quote for 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(Methylsulfanyl)carbonyl]amino}phenyl tert-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.