BAS 03754498
TL;DR: BAS 03754498 (CAS 442570-97-0) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methoxyphenyl)-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: BAS 03754498, 3-(3-methoxyphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-(3-methoxyphenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C18H16N4OS |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.1045 |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 442570-97-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C3N2C=NC4=C3C5=C(S4)CCCC5 |
| InChIKey | QCHWXMHKVKXOCH-UHFFFAOYSA-N |
Product Overview
BAS 03754498 (CAS 442570-97-0), with molecular formula C18H16N4OS and molecular weight 336.10 g/mol. IUPAC: 5-(3-methoxyphenyl)-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of BAS 03754498
Property Insights of BAS 03754498
The XLogP value of 4.7 indicates that BAS 03754498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03754498. Following Lipinski's Rule of Five, BAS 03754498 has 0 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 03754498?
The CAS number of BAS 03754498 is 442570-97-0.
What is the molecular formula of BAS 03754498?
The molecular formula of BAS 03754498 is C18H16N4OS.
What is the molecular weight of BAS 03754498?
The molecular weight of BAS 03754498 is 336.10 g/mol.
Where can I buy BAS 03754498?
You can request a quote for BAS 03754498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03754498?
Yes, KEHONG BIO provides custom synthesis services for BAS 03754498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.