A2137/0089748
TL;DR: A2137/0089748 (CAS 309287-07-8) is a chemical compound with molecular formula C20H15BrN6O2S2 and molecular weight 513.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
Also Known As: A2137/0089748, 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide, 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide, 2-({8-BROMO-5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(6-METHOXY-1,3-BENZOTHIAZOL-2-YL)ACETAMIDE
| Molecular Formula | C20H15BrN6O2S2 |
|---|---|
| Molecular Weight | 513.99 g/mol |
| LogP | 4.6281 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.98816 |
| Heavy Atoms | 31 |
| Complexity | 1464.9253 |
Chemical Identifiers
| CAS Number | 309287-07-8 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Br)C3=C1N=C(N=N3)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)OC |
Product Overview
A2137/0089748 (CAS 309287-07-8), with molecular formula C20H15BrN6O2S2 and molecular weight 513.99 g/mol. IUPAC: 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of A2137/0089748
Property Insights of A2137/0089748
The XLogP value of 4.6281 indicates that A2137/0089748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for A2137/0089748. Following Lipinski's Rule of Five, A2137/0089748 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2137/0089748?
The CAS number of A2137/0089748 is 309287-07-8.
What is the molecular formula of A2137/0089748?
The molecular formula of A2137/0089748 is C20H15BrN6O2S2.
What is the molecular weight of A2137/0089748?
The molecular weight of A2137/0089748 is 513.99 g/mol.
Where can I buy A2137/0089748?
You can request a quote for A2137/0089748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2137/0089748?
Yes, KEHONG BIO provides custom synthesis services for A2137/0089748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.