![N-[(benzylamino)carbonothioyl]-beta-alanine structure](/static/products/139/139059-59-9.png)
N-[(benzylamino)carbonothioyl]-beta-alanine
TL;DR: N-[(benzylamino)carbonothioyl]-beta-alanine (CAS 139059-59-9) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylcarbamothioylamino)propanoic acid
Also Known As: 3-(3-benzyl-thioureido)-propanoic acid, 3-(3-Benzylthioureido)propionic acid, 3-[3-Benzylthioureido]propionic acid, 3-(benzylcarbamothioylamino)propanoic acid, 3-(benzylthiocarbamoylamino)propanoic Acid
| Molecular Formula | C11H14N2O2S |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.1254 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.0776 |
| Heavy Atoms | 16 |
| Complexity | 354.26202 |
Chemical Identifiers
| CAS Number | 139059-59-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NCCC(=O)O |
Product Overview
N-[(benzylamino)carbonothioyl]-beta-alanine (CAS 139059-59-9), with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol. IUPAC: 3-(benzylcarbamothioylamino)propanoic acid.
Chemical Property Profile of N-[(benzylamino)carbonothioyl]-beta-alanine
Property Insights of N-[(benzylamino)carbonothioyl]-beta-alanine
The XLogP value of 1.1254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(benzylamino)carbonothioyl]-beta-alanine. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(benzylamino)carbonothioyl]-beta-alanine. Following Lipinski's Rule of Five, N-[(benzylamino)carbonothioyl]-beta-alanine 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-[(benzylamino)carbonothioyl]-beta-alanine?
The CAS number of N-[(benzylamino)carbonothioyl]-beta-alanine is 139059-59-9.
What is the molecular formula of N-[(benzylamino)carbonothioyl]-beta-alanine?
The molecular formula of N-[(benzylamino)carbonothioyl]-beta-alanine is C11H14N2O2S.
What is the molecular weight of N-[(benzylamino)carbonothioyl]-beta-alanine?
The molecular weight of N-[(benzylamino)carbonothioyl]-beta-alanine is 238.08 g/mol.
Where can I buy N-[(benzylamino)carbonothioyl]-beta-alanine?
You can request a quote for N-[(benzylamino)carbonothioyl]-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(benzylamino)carbonothioyl]-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[(benzylamino)carbonothioyl]-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.