3-amino-N-benzyl-3-thioxopropanamide
TL;DR: 3-amino-N-benzyl-3-thioxopropanamide (CAS 102817-84-5) is a chemical compound with molecular formula C10H12N2OS and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-benzyl-3-sulfanylidenepropanamide
Also Known As: 3-amino-N-benzyl-3-thioxopropanamide, N-benzyl-2-carbamothioylacetamide, 3-amino-N-benzyl-3-sulfanylidenepropanamide, TOS-BB-0811, Propanamide,3-amino-N-(phenylmethyl)-3-thioxo-
| Molecular Formula | C10H12N2OS |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 0.979 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.06703 |
| Heavy Atoms | 14 |
| Complexity | 324.1537 |
Chemical Identifiers
| CAS Number | 102817-84-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CC(=S)N |
Product Overview
3-amino-N-benzyl-3-thioxopropanamide (CAS 102817-84-5), with molecular formula C10H12N2OS and molecular weight 208.07 g/mol. IUPAC: 3-amino-N-benzyl-3-sulfanylidenepropanamide.
Chemical Property Profile of 3-amino-N-benzyl-3-thioxopropanamide
Property Insights of 3-amino-N-benzyl-3-thioxopropanamide
The XLogP value of 0.979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-N-benzyl-3-thioxopropanamide. With a topological polar surface area (TPSA) of 55.12 Ų, 3-amino-N-benzyl-3-thioxopropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-amino-N-benzyl-3-thioxopropanamide has 2 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 3-amino-N-benzyl-3-thioxopropanamide?
The CAS number of 3-amino-N-benzyl-3-thioxopropanamide is 102817-84-5.
What is the molecular formula of 3-amino-N-benzyl-3-thioxopropanamide?
The molecular formula of 3-amino-N-benzyl-3-thioxopropanamide is C10H12N2OS.
What is the molecular weight of 3-amino-N-benzyl-3-thioxopropanamide?
The molecular weight of 3-amino-N-benzyl-3-thioxopropanamide is 208.07 g/mol.
Where can I buy 3-amino-N-benzyl-3-thioxopropanamide?
You can request a quote for 3-amino-N-benzyl-3-thioxopropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-N-benzyl-3-thioxopropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-N-benzyl-3-thioxopropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.