BAS 00795344
TL;DR: BAS 00795344 (CAS 325821-35-0) is a chemical compound with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)-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 00795344, 2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, AB00094628-01, AE-848/37051025, BRD-K31571067-001-01-6
| Molecular Formula | C19H18N4O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.902 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.11505 |
| Heavy Atoms | 26 |
| Complexity | 1131.6772 |
Chemical Identifiers
| CAS Number | 325821-35-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCC5)OC |
Product Overview
BAS 00795344 (CAS 325821-35-0), with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-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 00795344
Property Insights of BAS 00795344
The XLogP value of 3.902 indicates that BAS 00795344 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00795344. Following Lipinski's Rule of Five, BAS 00795344 has 0 hydrogen bond donor(s) and 6 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 00795344?
The CAS number of BAS 00795344 is 325821-35-0.
What is the molecular formula of BAS 00795344?
The molecular formula of BAS 00795344 is C19H18N4O2S.
What is the molecular weight of BAS 00795344?
The molecular weight of BAS 00795344 is 366.12 g/mol.
Where can I buy BAS 00795344?
You can request a quote for BAS 00795344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00795344?
Yes, KEHONG BIO provides custom synthesis services for BAS 00795344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.