![N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide structure](/static/products/4454/445419-69-2.webp)
N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide
TL;DR: N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide (CAS 445419-69-2) is a chemical compound with molecular formula C12H14F2N2OS and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide
Also Known As: N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide, AN-465/41167469, N-(2,4-difluorophenyl)-N'-(3-methylbutanoyl)thiourea, N-{[(2,4-difluorophenyl)amino]carbonothioyl}-3-methylbutanamide
| Molecular Formula | C12H14F2N2OS |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.8239 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0795 |
| Heavy Atoms | 18 |
| Complexity | 463.3907 |
Chemical Identifiers
| CAS Number | 445419-69-2 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=C(C=C(C=C1)F)F |
Product Overview
N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide (CAS 445419-69-2), with molecular formula C12H14F2N2OS and molecular weight 272.08 g/mol. IUPAC: N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide.
Chemical Property Profile of N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide
Property Insights of N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide
The XLogP value of 2.8239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide. With a topological polar surface area (TPSA) of 41.13 Ų, N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2,4-difluorophenyl)carbamothioyl]-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-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide?
The CAS number of N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide is 445419-69-2.
What is the molecular formula of N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide?
The molecular formula of N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide is C12H14F2N2OS.
What is the molecular weight of N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide?
The molecular weight of N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide is 272.08 g/mol.
Where can I buy N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide?
You can request a quote for N-[(2,4-difluorophenyl)carbamothioyl]-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-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2,4-difluorophenyl)carbamothioyl]-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.