AB00117140-01
TL;DR: AB00117140-01 (CAS 431997-08-9) is a chemical compound with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide
Also Known As: AB00117140-01, N-({4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)furan-2-carboxamide, N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide
| Molecular Formula | C22H19N3O3S |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 5.338 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.11472 |
| Heavy Atoms | 29 |
| Complexity | 1161.9708 |
Chemical Identifiers
| CAS Number | 431997-08-9 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CO4 |
Product Overview
AB00117140-01 (CAS 431997-08-9), with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol. IUPAC: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide.
Chemical Property Profile of AB00117140-01
Property Insights of AB00117140-01
The XLogP value of 5.338 indicates that AB00117140-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117140-01. Following Lipinski's Rule of Five, AB00117140-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00117140-01?
The CAS number of AB00117140-01 is 431997-08-9.
What is the molecular formula of AB00117140-01?
The molecular formula of AB00117140-01 is C22H19N3O3S.
What is the molecular weight of AB00117140-01?
The molecular weight of AB00117140-01 is 405.11 g/mol.
Where can I buy AB00117140-01?
You can request a quote for AB00117140-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117140-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117140-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.