AB00110244-01
TL;DR: AB00110244-01 (CAS 429620-79-1) is a chemical compound with molecular formula C25H19N3O4S and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
Also Known As: AB00110244-01, N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide, N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide, N-[(5-benzooxazol-2-yl-2-methoxy-phenyl)thiocarbamoyl]-3-methyl-benzofuran-2-carboxamide, 1-[5-(1,3-BENZOXAZOL-2-YL)-2-METHOXYPHENYL]-3-(3-METHYL-1-BENZOFURAN-2-CARBONYL)THIOUREA
| Molecular Formula | C25H19N3O4S |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 5.68482 |
| Topological Polar Surface Area | 89.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.10962 |
| Heavy Atoms | 33 |
| Complexity | 1485.9658 |
Chemical Identifiers
| CAS Number | 429620-79-1 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=C(C=CC(=C3)C4=NC5=CC=CC=C5O4)OC |
Product Overview
AB00110244-01 (CAS 429620-79-1), with molecular formula C25H19N3O4S and molecular weight 457.11 g/mol. IUPAC: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of AB00110244-01
Property Insights of AB00110244-01
The XLogP value of 5.68482 indicates that AB00110244-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00110244-01. Following Lipinski's Rule of Five, AB00110244-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00110244-01?
The CAS number of AB00110244-01 is 429620-79-1.
What is the molecular formula of AB00110244-01?
The molecular formula of AB00110244-01 is C25H19N3O4S.
What is the molecular weight of AB00110244-01?
The molecular weight of AB00110244-01 is 457.11 g/mol.
Where can I buy AB00110244-01?
You can request a quote for AB00110244-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00110244-01?
Yes, KEHONG BIO provides custom synthesis services for AB00110244-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.