BAS 09807444
TL;DR: BAS 09807444 (CAS 730252-53-6) is a chemical compound with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 09807444, 3-(3,4-dimethoxyphenethyl)-2-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-4-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H26N2O3S |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 4.1591 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1664 |
| Heavy Atoms | 28 |
| Complexity | 1067.8096 |
Chemical Identifiers
| CAS Number | 730252-53-6 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC(=C(C=C4)OC)OC |
Product Overview
BAS 09807444 (CAS 730252-53-6), with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 09807444
Property Insights of BAS 09807444
The XLogP value of 4.1591 indicates that BAS 09807444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, BAS 09807444 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 09807444 has 0 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 09807444?
The CAS number of BAS 09807444 is 730252-53-6.
What is the molecular formula of BAS 09807444?
The molecular formula of BAS 09807444 is C22H26N2O3S.
What is the molecular weight of BAS 09807444?
The molecular weight of BAS 09807444 is 398.17 g/mol.
Where can I buy BAS 09807444?
You can request a quote for BAS 09807444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09807444?
Yes, KEHONG BIO provides custom synthesis services for BAS 09807444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.