ChemDiv1_009022
TL;DR: ChemDiv1_009022 (CAS 315711-68-3) 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-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone
Also Known As: ChemDiv1_009022, CBKinase1_007640, CBKinase1_020040, SDCCGSBI-0660479.P001, AB00685715-01
| Molecular Formula | C20H18N2O3S2 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 4.23462 |
| 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 | 1061.0518 |
Chemical Identifiers
| CAS Number | 315711-68-3 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
ChemDiv1_009022 (CAS 315711-68-3), with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone.
Chemical Property Profile of ChemDiv1_009022
Property Insights of ChemDiv1_009022
The XLogP value of 4.23462 indicates that ChemDiv1_009022 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 ChemDiv1_009022. Following Lipinski's Rule of Five, ChemDiv1_009022 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 ChemDiv1_009022?
The CAS number of ChemDiv1_009022 is 315711-68-3.
What is the molecular formula of ChemDiv1_009022?
The molecular formula of ChemDiv1_009022 is C20H18N2O3S2.
What is the molecular weight of ChemDiv1_009022?
The molecular weight of ChemDiv1_009022 is 398.08 g/mol.
Where can I buy ChemDiv1_009022?
You can request a quote for ChemDiv1_009022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009022?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.