N-(benzylcarbamothioyl)-3-methylbutanamide
TL;DR: N-(benzylcarbamothioyl)-3-methylbutanamide (CAS 446825-01-0) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzylcarbamothioyl)-3-methylbutanamide
Also Known As: N-(benzylcarbamothioyl)-3-methylbutanamide, UPCMLD0ENAT5874120:001, N-[(benzylamino)carbonothioyl]-3-methylbutanamide
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 2.2234 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 376.26566 |
Chemical Identifiers
| CAS Number | 446825-01-0 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NCC1=CC=CC=C1 |
Product Overview
N-(benzylcarbamothioyl)-3-methylbutanamide (CAS 446825-01-0), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: N-(benzylcarbamothioyl)-3-methylbutanamide.
Chemical Property Profile of N-(benzylcarbamothioyl)-3-methylbutanamide
Property Insights of N-(benzylcarbamothioyl)-3-methylbutanamide
The XLogP value of 2.2234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzylcarbamothioyl)-3-methylbutanamide. With a topological polar surface area (TPSA) of 41.13 Ų, N-(benzylcarbamothioyl)-3-methylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzylcarbamothioyl)-3-methylbutanamide 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 N-(benzylcarbamothioyl)-3-methylbutanamide?
The CAS number of N-(benzylcarbamothioyl)-3-methylbutanamide is 446825-01-0.
What is the molecular formula of N-(benzylcarbamothioyl)-3-methylbutanamide?
The molecular formula of N-(benzylcarbamothioyl)-3-methylbutanamide is C13H18N2OS.
What is the molecular weight of N-(benzylcarbamothioyl)-3-methylbutanamide?
The molecular weight of N-(benzylcarbamothioyl)-3-methylbutanamide is 250.11 g/mol.
Where can I buy N-(benzylcarbamothioyl)-3-methylbutanamide?
You can request a quote for N-(benzylcarbamothioyl)-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzylcarbamothioyl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzylcarbamothioyl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.