N-(phenylcarbamothioyl)isoleucine
TL;DR: N-(phenylcarbamothioyl)isoleucine (CAS 5839-71-4) is a chemical compound with molecular formula C13H18N2O2S and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(phenylcarbamothioylamino)pentanoic acid
Also Known As: N-(phenylcarbamothioyl)isoleucine, N-(anilinocarbonothioyl)isoleucine, BIM-0035046.P001, 3-methyl-2-(phenylcarbamothioylamino)pentanoic acid, 3-methyl-2-(3-phenylthioureido)pentanoic acid
| Molecular Formula | C13H18N2O2S |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 2.4723 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.1089 |
| Heavy Atoms | 18 |
| Complexity | 408.7121 |
Chemical Identifiers
| CAS Number | 5839-71-4 |
|---|---|
| SMILES | CCC(C)C(C(=O)O)NC(=S)NC1=CC=CC=C1 |
Product Overview
N-(phenylcarbamothioyl)isoleucine (CAS 5839-71-4), with molecular formula C13H18N2O2S and molecular weight 266.11 g/mol. IUPAC: 3-methyl-2-(phenylcarbamothioylamino)pentanoic acid.
Chemical Property Profile of N-(phenylcarbamothioyl)isoleucine
Property Insights of N-(phenylcarbamothioyl)isoleucine
The XLogP value of 2.4723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(phenylcarbamothioyl)isoleucine. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(phenylcarbamothioyl)isoleucine. Following Lipinski's Rule of Five, N-(phenylcarbamothioyl)isoleucine has 3 hydrogen bond donor(s) and 2 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 N-(phenylcarbamothioyl)isoleucine?
The CAS number of N-(phenylcarbamothioyl)isoleucine is 5839-71-4.
What is the molecular formula of N-(phenylcarbamothioyl)isoleucine?
The molecular formula of N-(phenylcarbamothioyl)isoleucine is C13H18N2O2S.
What is the molecular weight of N-(phenylcarbamothioyl)isoleucine?
The molecular weight of N-(phenylcarbamothioyl)isoleucine is 266.11 g/mol.
Where can I buy N-(phenylcarbamothioyl)isoleucine?
You can request a quote for N-(phenylcarbamothioyl)isoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(phenylcarbamothioyl)isoleucine?
Yes, KEHONG BIO provides custom synthesis services for N-(phenylcarbamothioyl)isoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.