ChemDiv1_008628
TL;DR: ChemDiv1_008628 (CAS 314261-21-7) is a chemical compound with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(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]acetamide
Also Known As: ChemDiv1_008628, CBKinase1_007758, CBKinase1_020158, AF-399/15031064, BRD-K32339752-001-01-7
| Molecular Formula | C20H19N3O3S2 |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 3.99042 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.0868 |
| Heavy Atoms | 28 |
| Complexity | 1080.2334 |
Chemical Identifiers
| CAS Number | 314261-21-7 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=CC5=C(C=C4)OCCO5 |
Product Overview
ChemDiv1_008628 (CAS 314261-21-7), with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol. IUPAC: N-(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]acetamide.
Chemical Property Profile of ChemDiv1_008628
Property Insights of ChemDiv1_008628
The XLogP value of 3.99042 indicates that ChemDiv1_008628 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008628. Following Lipinski's Rule of Five, ChemDiv1_008628 has 1 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_008628?
The CAS number of ChemDiv1_008628 is 314261-21-7.
What is the molecular formula of ChemDiv1_008628?
The molecular formula of ChemDiv1_008628 is C20H19N3O3S2.
What is the molecular weight of ChemDiv1_008628?
The molecular weight of ChemDiv1_008628 is 413.09 g/mol.
Where can I buy ChemDiv1_008628?
You can request a quote for ChemDiv1_008628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008628?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.