ChemDiv3_012717
TL;DR: ChemDiv3_012717 (CAS 688060-25-5) is a chemical compound with molecular formula C23H22N4O7S and molecular weight 498.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(2-amino-2-oxoethyl)sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-(1,3-benzodioxol-5-ylmethyl)butanamide
Also Known As: ChemDiv3_012717, VU0199425-3, AB00524474-07, F3168-2191, BRD-K47444425-001-01-5
| Molecular Formula | C23H22N4O7S |
|---|---|
| Molecular Weight | 498.12 g/mol |
| LogP | 1.5279 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.1209 |
| Heavy Atoms | 35 |
| Complexity | 1374.2125 |
Chemical Identifiers
| CAS Number | 688060-25-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=CC5=C(C=C4N=C3SCC(=O)N)OCO5 |
Product Overview
ChemDiv3_012717 (CAS 688060-25-5), with molecular formula C23H22N4O7S and molecular weight 498.12 g/mol. IUPAC: 4-[6-(2-amino-2-oxoethyl)sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-(1,3-benzodioxol-5-ylmethyl)butanamide.
Chemical Property Profile of ChemDiv3_012717
Property Insights of ChemDiv3_012717
The XLogP value of 1.5279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012717. The TPSA of 144.0 Ų indicates high polarity, suggesting ChemDiv3_012717 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv3_012717 has 2 hydrogen bond donor(s) and 9 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 ChemDiv3_012717?
The CAS number of ChemDiv3_012717 is 688060-25-5.
What is the molecular formula of ChemDiv3_012717?
The molecular formula of ChemDiv3_012717 is C23H22N4O7S.
What is the molecular weight of ChemDiv3_012717?
The molecular weight of ChemDiv3_012717 is 498.12 g/mol.
Where can I buy ChemDiv3_012717?
You can request a quote for ChemDiv3_012717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012717?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.