BAS 00795336
TL;DR: BAS 00795336 (CAS 160887-18-3) is a chemical compound with molecular formula C17H13BrN4S and molecular weight 384.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromophenyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: BAS 00795336, 2-(2-bromophenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(2-bromophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C17H13BrN4S |
|---|---|
| Molecular Weight | 384.00 g/mol |
| LogP | 4.6473 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.00443 |
| Heavy Atoms | 23 |
| Complexity | 1049.5492 |
Chemical Identifiers
| CAS Number | 160887-18-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC=CC=C5Br |
Product Overview
BAS 00795336 (CAS 160887-18-3), with molecular formula C17H13BrN4S and molecular weight 384.00 g/mol. IUPAC: 4-(2-bromophenyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of BAS 00795336
Property Insights of BAS 00795336
The XLogP value of 4.6473 indicates that BAS 00795336 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, BAS 00795336 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00795336 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 BAS 00795336?
The CAS number of BAS 00795336 is 160887-18-3.
What is the molecular formula of BAS 00795336?
The molecular formula of BAS 00795336 is C17H13BrN4S.
What is the molecular weight of BAS 00795336?
The molecular weight of BAS 00795336 is 384.00 g/mol.
Where can I buy BAS 00795336?
You can request a quote for BAS 00795336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00795336?
Yes, KEHONG BIO provides custom synthesis services for BAS 00795336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.