AB00107253-01
TL;DR: AB00107253-01 (CAS 425668-54-8) is a chemical compound with molecular formula C22H16BrN3O4S and molecular weight 497.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3-bromo-4-methoxybenzamide
Also Known As: AB00107253-01, N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-bromo-4-methoxybenzamide, N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-bromo-4-methoxybenzamide, N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-bromo-4-methoxybenzamide, N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-bromo-4-methoxybenzamide
| Molecular Formula | C22H16BrN3O4S |
|---|---|
| Molecular Weight | 497.00 g/mol |
| LogP | 5.0983 |
| Topological Polar Surface Area | 96.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 497.0045 |
| Heavy Atoms | 31 |
| Complexity | 1272.1606 |
Chemical Identifiers
| CAS Number | 425668-54-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4O3)O)Br |
Product Overview
AB00107253-01 (CAS 425668-54-8), with molecular formula C22H16BrN3O4S and molecular weight 497.00 g/mol. IUPAC: N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3-bromo-4-methoxybenzamide.
Chemical Property Profile of AB00107253-01
Property Insights of AB00107253-01
The XLogP value of 5.0983 indicates that AB00107253-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00107253-01. Following Lipinski's Rule of Five, AB00107253-01 has 3 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 AB00107253-01?
The CAS number of AB00107253-01 is 425668-54-8.
What is the molecular formula of AB00107253-01?
The molecular formula of AB00107253-01 is C22H16BrN3O4S.
What is the molecular weight of AB00107253-01?
The molecular weight of AB00107253-01 is 497.00 g/mol.
Where can I buy AB00107253-01?
You can request a quote for AB00107253-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00107253-01?
Yes, KEHONG BIO provides custom synthesis services for AB00107253-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.