ChemDiv1_026210
TL;DR: ChemDiv1_026210 (CAS 309735-78-2) is a chemical compound with molecular formula C19H19BrN4O3S and molecular weight 462.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)-[3-(diethylamino)-5,5-dioxo-3H-[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2-yl]methanone
Also Known As: ChemDiv1_026210, (4-bromophenyl)[3-(diethylamino)-5,5-dioxido[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2(3H)-yl]methanone, (4-Bromophenyl)[3-(diethylamino)-5,5-dioxido-1,2,4-triazolo[4,3-b][1,2]benzisothiazol-2(3H)-yl]methanone, (4-Bromophenyl)(3-(diethylamino)-5,5-dioxido-1,2,4-triazolo(4,3-b)(1,2)benzisothiazol-2(3H)-yl)methanone, (4-bromophenyl)-[3-(diethylamino)-5,5-dioxo-3H-[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2-yl]methanone
| Molecular Formula | C19H19BrN4O3S |
|---|---|
| Molecular Weight | 462.04 g/mol |
| LogP | 2.8964 |
| Topological Polar Surface Area | 73.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.03613 |
| Heavy Atoms | 28 |
| Complexity | 1064.8413 |
Chemical Identifiers
| CAS Number | 309735-78-2 |
|---|---|
| SMILES | CCN(CC)C1N2C(=NN1C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4S2(=O)=O |
Product Overview
ChemDiv1_026210 (CAS 309735-78-2), with molecular formula C19H19BrN4O3S and molecular weight 462.04 g/mol. IUPAC: (4-bromophenyl)-[3-(diethylamino)-5,5-dioxo-3H-[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2-yl]methanone.
Chemical Property Profile of ChemDiv1_026210
Property Insights of ChemDiv1_026210
The XLogP value of 2.8964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_026210. The TPSA of 73.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_026210. Following Lipinski's Rule of Five, ChemDiv1_026210 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_026210?
The CAS number of ChemDiv1_026210 is 309735-78-2.
What is the molecular formula of ChemDiv1_026210?
The molecular formula of ChemDiv1_026210 is C19H19BrN4O3S.
What is the molecular weight of ChemDiv1_026210?
The molecular weight of ChemDiv1_026210 is 462.04 g/mol.
Where can I buy ChemDiv1_026210?
You can request a quote for ChemDiv1_026210 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026210?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026210 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.