AB00112499-01
TL;DR: AB00112499-01 (CAS 430445-61-7) is a chemical compound with molecular formula C23H19N3O4S2 and molecular weight 465.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide
Also Known As: AB00112499-01, N-((3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3,5-dimethoxybenzamide, N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-3,5-dimethoxybenzamide, N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethoxybenzamide, N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethoxybenzamide
| Molecular Formula | C23H19N3O4S2 |
|---|---|
| Molecular Weight | 465.08 g/mol |
| LogP | 4.8129 |
| Topological Polar Surface Area | 92.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.0817 |
| Heavy Atoms | 32 |
| Complexity | 1264.5979 |
Chemical Identifiers
| CAS Number | 430445-61-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)O)C3=NC4=CC=CC=C4S3)OC |
Product Overview
AB00112499-01 (CAS 430445-61-7), with molecular formula C23H19N3O4S2 and molecular weight 465.08 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide.
Chemical Property Profile of AB00112499-01
Property Insights of AB00112499-01
The XLogP value of 4.8129 indicates that AB00112499-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112499-01. Following Lipinski's Rule of Five, AB00112499-01 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 AB00112499-01?
The CAS number of AB00112499-01 is 430445-61-7.
What is the molecular formula of AB00112499-01?
The molecular formula of AB00112499-01 is C23H19N3O4S2.
What is the molecular weight of AB00112499-01?
The molecular weight of AB00112499-01 is 465.08 g/mol.
Where can I buy AB00112499-01?
You can request a quote for AB00112499-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112499-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112499-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.