RefChem:299129
TL;DR: RefChem:299129 (CAS 300730-34-1) is a chemical compound with molecular formula C11H6ClN7OS and molecular weight 319.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-chloroanilino)-4-oxa-1,3,5,7,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9-tetraene-12-thione
Also Known As: ChemDiv1_024840, A0688/0032058, 5-[(4-Chlorophenyl)amino][1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazine-8(7H)-thione, 5-(4-Chloroanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazine-8(7H)-thione, 5-[(4-chlorophenyl)amino][1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazine-8-thiol
| Molecular Formula | C11H6ClN7OS |
|---|---|
| Molecular Weight | 319.00 g/mol |
| LogP | 2.72009 |
| Topological Polar Surface Area | 96.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.0043 |
| Heavy Atoms | 21 |
| Complexity | 1002.9377 |
Chemical Identifiers
| CAS Number | 300730-34-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC3=NON=C3N4C2=NNC4=S)Cl |
Product Overview
RefChem:299129 (CAS 300730-34-1), with molecular formula C11H6ClN7OS and molecular weight 319.00 g/mol. IUPAC: 8-(4-chloroanilino)-4-oxa-1,3,5,7,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9-tetraene-12-thione.
Chemical Property Profile of RefChem:299129
Property Insights of RefChem:299129
The XLogP value of 2.72009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:299129. The TPSA of 96.93 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:299129. Following Lipinski's Rule of Five, RefChem:299129 has 2 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 RefChem:299129?
The CAS number of RefChem:299129 is 300730-34-1.
What is the molecular formula of RefChem:299129?
The molecular formula of RefChem:299129 is C11H6ClN7OS.
What is the molecular weight of RefChem:299129?
The molecular weight of RefChem:299129 is 319.00 g/mol.
Where can I buy RefChem:299129?
You can request a quote for RefChem:299129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299129?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.