![N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide structure](/static/products/4296/429642-63-7.webp)
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide
TL;DR: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide (CAS 429642-63-7) is a chemical compound with molecular formula C20H20ClN3O2S and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide
Also Known As: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide, N-{[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}pentanamide, N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-pentanoylthiourea
| Molecular Formula | C20H20ClN3O2S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 5.45982 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.09647 |
| Heavy Atoms | 27 |
| Complexity | 1000.05554 |
Chemical Identifiers
| CAS Number | 429642-63-7 |
|---|---|
| SMILES | CCCCC(=O)NC(=S)NC1=CC=CC(=C1C)C2=NC3=C(O2)C=CC(=C3)Cl |
Product Overview
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide (CAS 429642-63-7), with molecular formula C20H20ClN3O2S and molecular weight 401.10 g/mol. IUPAC: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide.
Chemical Property Profile of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide
Property Insights of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide
The XLogP value of 5.45982 indicates that N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide. Following Lipinski's Rule of Five, N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide?
The CAS number of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide is 429642-63-7.
What is the molecular formula of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide?
The molecular formula of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide is C20H20ClN3O2S.
What is the molecular weight of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide?
The molecular weight of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide is 401.10 g/mol.
Where can I buy N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide?
You can request a quote for N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]pentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.