BIM-0009739.P001
TL;DR: BIM-0009739.P001 (CAS 6020-89-9) is a chemical compound with molecular formula C22H17BrN2O3S and molecular weight 468.01 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]-3-bromo-4-ethoxybenzamide
Also Known As: BIM-0009739.P001, N-[3-(1,3-Benzothiazol-2(3H)-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-bromo-4-ethoxybenzamide, N-[(3E)-3-(3H-BENZOTHIAZOL-2-YLIDENE)-4-OXO-1-CYCLOHEXA-1,5-DIENYL]-3-BROMO-4-ETHOXY-BENZAMIDE, N-[3-(1,3-BENZOTHIAZOL-2-YL)-4-HYDROXYPHENYL]-3-BROMO-4-ETHOXYBENZAMIDE, N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-bromo-4-ethoxybenzamide
| Molecular Formula | C22H17BrN2O3S |
|---|---|
| Molecular Weight | 468.01 g/mol |
| LogP | 6.0824 |
| Topological Polar Surface Area | 71.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.01434 |
| Heavy Atoms | 29 |
| Complexity | 1172.8645 |
Chemical Identifiers
| CAS Number | 6020-89-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)O)C3=NC4=CC=CC=C4S3)Br |
Product Overview
BIM-0009739.P001 (CAS 6020-89-9), with molecular formula C22H17BrN2O3S and molecular weight 468.01 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-bromo-4-ethoxybenzamide.
Chemical Property Profile of BIM-0009739.P001
Property Insights of BIM-0009739.P001
The XLogP value of 6.0824 indicates that BIM-0009739.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0009739.P001. Following Lipinski's Rule of Five, BIM-0009739.P001 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0009739.P001?
The CAS number of BIM-0009739.P001 is 6020-89-9.
What is the molecular formula of BIM-0009739.P001?
The molecular formula of BIM-0009739.P001 is C22H17BrN2O3S.
What is the molecular weight of BIM-0009739.P001?
The molecular weight of BIM-0009739.P001 is 468.01 g/mol.
Where can I buy BIM-0009739.P001?
You can request a quote for BIM-0009739.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0009739.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0009739.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.