AB00109958-01
TL;DR: AB00109958-01 (CAS 428845-69-6) is a chemical compound with molecular formula C23H16N4O3S and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide
Also Known As: AB00109958-01, 3-methyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide, 3-methyl-N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide, 3-methyl-N-[(2-pyridin-3-ylbenzooxazol-5-yl)thiocarbamoyl]benzofuran-2-carboxamide, 1-(3-METHYL-1-BENZOFURAN-2-CARBONYL)-3-[2-(PYRIDIN-3-YL)-1,3-BENZOXAZOL-5-YL]THIOUREA
| Molecular Formula | C23H16N4O3S |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 5.07122 |
| Topological Polar Surface Area | 93.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.0943 |
| Heavy Atoms | 31 |
| Complexity | 1439.5635 |
Chemical Identifiers
| CAS Number | 428845-69-6 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5 |
Product Overview
AB00109958-01 (CAS 428845-69-6), with molecular formula C23H16N4O3S and molecular weight 428.09 g/mol. IUPAC: 3-methyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of AB00109958-01
Property Insights of AB00109958-01
The XLogP value of 5.07122 indicates that AB00109958-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00109958-01. Following Lipinski's Rule of Five, AB00109958-01 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 AB00109958-01?
The CAS number of AB00109958-01 is 428845-69-6.
What is the molecular formula of AB00109958-01?
The molecular formula of AB00109958-01 is C23H16N4O3S.
What is the molecular weight of AB00109958-01?
The molecular weight of AB00109958-01 is 428.09 g/mol.
Where can I buy AB00109958-01?
You can request a quote for AB00109958-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109958-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109958-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.