BAS 00609044
TL;DR: BAS 00609044 (CAS 331837-50-4) is a chemical compound with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: BAS 00609044, 2-benzyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, AE-848/11105540, 2-benzyl-6,6-dimethyl-5,8-dihydro-3H-pyrano[2,3]thieno[2,4-d]pyrimidin-4-one, 5-benzyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C18H18N2O2S |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 3.4267 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1089 |
| Heavy Atoms | 23 |
| Complexity | 925.3397 |
Chemical Identifiers
| CAS Number | 331837-50-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)CC4=CC=CC=C4)C |
Product Overview
BAS 00609044 (CAS 331837-50-4), with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol. IUPAC: 5-benzyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of BAS 00609044
Property Insights of BAS 00609044
The XLogP value of 3.4267 indicates that BAS 00609044 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, BAS 00609044 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00609044 has 1 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 00609044?
The CAS number of BAS 00609044 is 331837-50-4.
What is the molecular formula of BAS 00609044?
The molecular formula of BAS 00609044 is C18H18N2O2S.
What is the molecular weight of BAS 00609044?
The molecular weight of BAS 00609044 is 326.11 g/mol.
Where can I buy BAS 00609044?
You can request a quote for BAS 00609044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00609044?
Yes, KEHONG BIO provides custom synthesis services for BAS 00609044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.