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N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide
TL;DR: N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide (CAS 642949-94-8) is a chemical compound with molecular formula C22H21N3OS and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide
Also Known As: N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide, N-(4-anilinophenyl)-N'-(3-phenylpropanoyl)thiourea, AN-329/41573035, N-(4-Anilinophenyl)-N/'-(3-phenylpropanoyl)thiourea, 3-phenyl-N-{[4-(phenylamino)phenyl]carbamothioyl}propanamide
| Molecular Formula | C22H21N3OS |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | 4.876 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.14053 |
| Heavy Atoms | 27 |
| Complexity | 880.45105 |
Chemical Identifiers
| CAS Number | 642949-94-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 |
Product Overview
N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide (CAS 642949-94-8), with molecular formula C22H21N3OS and molecular weight 375.14 g/mol. IUPAC: N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide.
Chemical Property Profile of N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide
Property Insights of N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide
The XLogP value of 4.876 indicates that N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide 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-phenylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide 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-phenylpropanamide?
The CAS number of N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide is 642949-94-8.
What is the molecular formula of N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide?
The molecular formula of N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide is C22H21N3OS.
What is the molecular weight of N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide?
The molecular weight of N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide is 375.14 g/mol.
Where can I buy N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide?
You can request a quote for N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide 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-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-anilinophenyl)carbamothioyl]-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.