AB00111884-01
TL;DR: AB00111884-01 (CAS 429648-85-1) is a chemical compound with molecular formula C23H19N3O5S and molecular weight 449.10 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]-3,5-dimethoxybenzamide
Also Known As: AB00111884-01, N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3,5-dimethoxybenzamide, N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3,5-dimethoxybenzamide, N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethoxybenzamide, N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethoxybenzamide
| Molecular Formula | C23H19N3O5S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 4.3444 |
| Topological Polar Surface Area | 105.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.10455 |
| Heavy Atoms | 32 |
| Complexity | 1262.9883 |
Chemical Identifiers
| CAS Number | 429648-85-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4O3)O)OC |
Product Overview
AB00111884-01 (CAS 429648-85-1), with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol. IUPAC: N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide.
Chemical Property Profile of AB00111884-01
Property Insights of AB00111884-01
The XLogP value of 4.3444 indicates that AB00111884-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111884-01. Following Lipinski's Rule of Five, AB00111884-01 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00111884-01?
The CAS number of AB00111884-01 is 429648-85-1.
What is the molecular formula of AB00111884-01?
The molecular formula of AB00111884-01 is C23H19N3O5S.
What is the molecular weight of AB00111884-01?
The molecular weight of AB00111884-01 is 449.10 g/mol.
Where can I buy AB00111884-01?
You can request a quote for AB00111884-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111884-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111884-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.