RefChem:309808
TL;DR: RefChem:309808 (CAS 57801-94-2) is a chemical compound with molecular formula C15H10Br2N4S and molecular weight 435.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-7-(2-bromophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
Also Known As: 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 2-bromo-4-(2-bromophenyl)-9-methyl-, 8-Bromo-6-(o-bromophenyl)-1-methyl-4H-s-triazolo(3,4c)thieno(2,3e)-1,4-diazepine, 2-Bromo-4-(2-bromophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 2-Bromo-4-(2-bromophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, RefChem:309808
| Molecular Formula | C15H10Br2N4S |
|---|---|
| Molecular Weight | 435.90 g/mol |
| LogP | 4.51322 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 435.8993 |
| Heavy Atoms | 22 |
| Complexity | 910.16077 |
Chemical Identifiers
| CAS Number | 57801-94-2 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Br |
Product Overview
RefChem:309808 (CAS 57801-94-2), with molecular formula C15H10Br2N4S and molecular weight 435.90 g/mol. IUPAC: 4-bromo-7-(2-bromophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene.
Chemical Property Profile of RefChem:309808
Property Insights of RefChem:309808
The XLogP value of 4.51322 indicates that RefChem:309808 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.07 Ų, RefChem:309808 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:309808 has 0 hydrogen bond donor(s) and 4 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:309808?
The CAS number of RefChem:309808 is 57801-94-2.
What is the molecular formula of RefChem:309808?
The molecular formula of RefChem:309808 is C15H10Br2N4S.
What is the molecular weight of RefChem:309808?
The molecular weight of RefChem:309808 is 435.90 g/mol.
Where can I buy RefChem:309808?
You can request a quote for RefChem:309808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309808?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.