BAS 00898081
TL;DR: BAS 00898081 (CAS 353462-94-9) is a chemical compound with molecular formula C19H23N3O4S and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-5-(3,4,5-trimethoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: BAS 00898081, BIM-0033703.P001, 7-methyl-2-(3,4,5-trimethoxyphenyl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, AB00096896-01, 11-Methyl-5-(3,4,5-trimethoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
| Molecular Formula | C19H23N3O4S |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 2.6159 |
| Topological Polar Surface Area | 72.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.14093 |
| Heavy Atoms | 27 |
| Complexity | 870.3153 |
Chemical Identifiers
| CAS Number | 353462-94-9 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
BAS 00898081 (CAS 353462-94-9), with molecular formula C19H23N3O4S and molecular weight 389.14 g/mol. IUPAC: 11-methyl-5-(3,4,5-trimethoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of BAS 00898081
Property Insights of BAS 00898081
The XLogP value of 2.6159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00898081. The TPSA of 72.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00898081. Following Lipinski's Rule of Five, BAS 00898081 has 2 hydrogen bond donor(s) and 7 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 00898081?
The CAS number of BAS 00898081 is 353462-94-9.
What is the molecular formula of BAS 00898081?
The molecular formula of BAS 00898081 is C19H23N3O4S.
What is the molecular weight of BAS 00898081?
The molecular weight of BAS 00898081 is 389.14 g/mol.
Where can I buy BAS 00898081?
You can request a quote for BAS 00898081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00898081?
Yes, KEHONG BIO provides custom synthesis services for BAS 00898081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.