BAS 00795337
TL;DR: BAS 00795337 (CAS 325730-08-3) is a chemical compound with molecular formula C17H14N4OS and molecular weight 322.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol
Also Known As: BAS 00795337, 2-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol, AB00094644-01, AE-848/11734017, (6Z)-6-(8,9,10,11-Tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2(3H)-ylidene)cyclohexa-2,4-dien-1-one
| Molecular Formula | C17H14N4OS |
|---|---|
| Molecular Weight | 322.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.08884 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 325730-08-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC=CC=C5O |
| InChIKey | BFLXEVWHUHAZGS-UHFFFAOYSA-N |
Product Overview
BAS 00795337 (CAS 325730-08-3), with molecular formula C17H14N4OS and molecular weight 322.09 g/mol. IUPAC: 2-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol.
Chemical Property Profile of BAS 00795337
Property Insights of BAS 00795337
The XLogP value of 4.0 indicates that BAS 00795337 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00795337. Following Lipinski's Rule of Five, BAS 00795337 has 1 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 BAS 00795337?
The CAS number of BAS 00795337 is 325730-08-3.
What is the molecular formula of BAS 00795337?
The molecular formula of BAS 00795337 is C17H14N4OS.
What is the molecular weight of BAS 00795337?
The molecular weight of BAS 00795337 is 322.09 g/mol.
Where can I buy BAS 00795337?
You can request a quote for BAS 00795337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00795337?
Yes, KEHONG BIO provides custom synthesis services for BAS 00795337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.