BAS 01088658
TL;DR: BAS 01088658 (CAS 336169-50-7) is a chemical compound with molecular formula C23H23N3O2S and molecular weight 405.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-5-(3-phenylmethoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: BAS 01088658, 2-[3-(benzyloxy)phenyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 2-(3-(benzyloxy)phenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 2-[3-(benzyloxy)phenyl]-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
| Molecular Formula | C23H23N3O2S |
|---|---|
| Molecular Weight | 405.15 g/mol |
| LogP | 4.1691 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.1511 |
| Heavy Atoms | 29 |
| Complexity | 1047.5315 |
Chemical Identifiers
| CAS Number | 336169-50-7 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)OCC5=CC=CC=C5 |
Product Overview
BAS 01088658 (CAS 336169-50-7), with molecular formula C23H23N3O2S and molecular weight 405.15 g/mol. IUPAC: 11-methyl-5-(3-phenylmethoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of BAS 01088658
Property Insights of BAS 01088658
The XLogP value of 4.1691 indicates that BAS 01088658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, BAS 01088658 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01088658 has 2 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 01088658?
The CAS number of BAS 01088658 is 336169-50-7.
What is the molecular formula of BAS 01088658?
The molecular formula of BAS 01088658 is C23H23N3O2S.
What is the molecular weight of BAS 01088658?
The molecular weight of BAS 01088658 is 405.15 g/mol.
Where can I buy BAS 01088658?
You can request a quote for BAS 01088658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01088658?
Yes, KEHONG BIO provides custom synthesis services for BAS 01088658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.