![N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide structure](/static/products/791/791791-98-5.png)
N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide
TL;DR: N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide (CAS 791791-98-5) is a chemical compound with molecular formula C18H21N3OS and molecular weight 327.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide
Also Known As: N-(4-anilinophenyl)-N'-(3-methylbutanoyl)thiourea, N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide, AN-329/42607799, N-(4-Anilinophenyl)-N/'-(3-methylbutanoyl)thiourea, N-{[(4-anilinophenyl)amino]carbonothioyl}-3-methylbutanamide
| Molecular Formula | C18H21N3OS |
|---|---|
| Molecular Weight | 327.14 g/mol |
| LogP | 4.2893 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.14053 |
| Heavy Atoms | 23 |
| Complexity | 653.72675 |
Chemical Identifiers
| CAS Number | 791791-98-5 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)NC2=CC=CC=C2 |
Product Overview
N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide (CAS 791791-98-5), with molecular formula C18H21N3OS and molecular weight 327.14 g/mol. IUPAC: N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide.
Chemical Property Profile of N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide
Property Insights of N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide
The XLogP value of 4.2893 indicates that N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide has 3 hydrogen bond donor(s) and 3 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-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide?
The CAS number of N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide is 791791-98-5.
What is the molecular formula of N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide?
The molecular formula of N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide is C18H21N3OS.
What is the molecular weight of N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide?
The molecular weight of N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide is 327.14 g/mol.
Where can I buy N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide?
You can request a quote for N-[(4-anilinophenyl)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-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-anilinophenyl)carbamothioyl]-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.