BAS 00609322
TL;DR: BAS 00609322 (CAS 331837-82-2) is a chemical compound with molecular formula C18H22N2O4S2 and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
Also Known As: BAS 00609322, BRD-K01252396-001-01-1, ethyl {[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, ethyl 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate, ethyl 2-(6,6-dimethyl-4-oxo-3-prop-2-enyl-3,5,6-trihydro-8H-pyrimidino[5',4'-4 ,5]thiopheno[2,3-c]pyran-2-ylthio)acetate
| Molecular Formula | C18H22N2O4S2 |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 3.1505 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.1021 |
| Heavy Atoms | 26 |
| Complexity | 914.03235 |
Chemical Identifiers
| CAS Number | 331837-82-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1CC=C |
Product Overview
BAS 00609322 (CAS 331837-82-2), with molecular formula C18H22N2O4S2 and molecular weight 394.10 g/mol. IUPAC: ethyl 2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate.
Chemical Property Profile of BAS 00609322
Property Insights of BAS 00609322
The XLogP value of 3.1505 indicates that BAS 00609322 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00609322. Following Lipinski's Rule of Five, BAS 00609322 has 0 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 00609322?
The CAS number of BAS 00609322 is 331837-82-2.
What is the molecular formula of BAS 00609322?
The molecular formula of BAS 00609322 is C18H22N2O4S2.
What is the molecular weight of BAS 00609322?
The molecular weight of BAS 00609322 is 394.10 g/mol.
Where can I buy BAS 00609322?
You can request a quote for BAS 00609322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00609322?
Yes, KEHONG BIO provides custom synthesis services for BAS 00609322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.