BAS 01113847
TL;DR: BAS 01113847 (CAS 304684-01-3) is a chemical compound with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Also Known As: BAS 01113847, F0307-0364, 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
| Molecular Formula | C20H18N2O3S2 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 4.3163 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0759 |
| Heavy Atoms | 27 |
| Complexity | 1031.4839 |
Chemical Identifiers
| CAS Number | 304684-01-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
BAS 01113847 (CAS 304684-01-3), with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone.
Chemical Property Profile of BAS 01113847
Property Insights of BAS 01113847
The XLogP value of 4.3163 indicates that BAS 01113847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01113847. Following Lipinski's Rule of Five, BAS 01113847 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 01113847?
The CAS number of BAS 01113847 is 304684-01-3.
What is the molecular formula of BAS 01113847?
The molecular formula of BAS 01113847 is C20H18N2O3S2.
What is the molecular weight of BAS 01113847?
The molecular weight of BAS 01113847 is 398.08 g/mol.
Where can I buy BAS 01113847?
You can request a quote for BAS 01113847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01113847?
Yes, KEHONG BIO provides custom synthesis services for BAS 01113847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.