BAS 03754545
TL;DR: BAS 03754545 (CAS 442571-08-6) is a chemical compound with molecular formula C20H20N4S and molecular weight 348.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-5-(2-phenylethyl)-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 03754545, 9-methyl-3-(2-phenylethyl)-4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4 -triazolo[4,3-e]pyrimidine, 9-methyl-3-(2-phenylethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 9-METHYL-3-PHENETHYL-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE, 9-methyl-3-phenethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C20H20N4S |
|---|---|
| Molecular Weight | 348.14 g/mol |
| LogP | 4.249 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.14087 |
| Heavy Atoms | 25 |
| Complexity | 1047.878 |
Chemical Identifiers
| CAS Number | 442571-08-6 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C4=NN=C(N4C=N3)CCC5=CC=CC=C5 |
Product Overview
BAS 03754545 (CAS 442571-08-6), with molecular formula C20H20N4S and molecular weight 348.14 g/mol. IUPAC: 13-methyl-5-(2-phenylethyl)-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 03754545
Property Insights of BAS 03754545
The XLogP value of 4.249 indicates that BAS 03754545 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 03754545 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03754545 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 03754545?
The CAS number of BAS 03754545 is 442571-08-6.
What is the molecular formula of BAS 03754545?
The molecular formula of BAS 03754545 is C20H20N4S.
What is the molecular weight of BAS 03754545?
The molecular weight of BAS 03754545 is 348.14 g/mol.
Where can I buy BAS 03754545?
You can request a quote for BAS 03754545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03754545?
Yes, KEHONG BIO provides custom synthesis services for BAS 03754545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.