ChemDiv3_012526
TL;DR: ChemDiv3_012526 (CAS 443349-79-9) is a chemical compound with molecular formula C23H30N4O3S and molecular weight 442.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylcyclohexyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: ChemDiv3_012526, BRD-A06744391-001-01-9, F0913-3424, N-(2-methylcyclohexyl)-4-oxo-3-(3-(2-oxopyrrolidin-1-yl)propyl)-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, N-(2-methylcyclohexyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C23H30N4O3S |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | 3.38009 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.20386 |
| Heavy Atoms | 31 |
| Complexity | 1106.1741 |
Chemical Identifiers
| CAS Number | 443349-79-9 |
|---|---|
| SMILES | CC1CCCCC1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCN4CCCC4=O |
Product Overview
ChemDiv3_012526 (CAS 443349-79-9), with molecular formula C23H30N4O3S and molecular weight 442.20 g/mol. IUPAC: N-(2-methylcyclohexyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv3_012526
Property Insights of ChemDiv3_012526
The XLogP value of 3.38009 indicates that ChemDiv3_012526 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012526. Following Lipinski's Rule of Five, ChemDiv3_012526 has 2 hydrogen bond donor(s) and 4 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_012526?
The CAS number of ChemDiv3_012526 is 443349-79-9.
What is the molecular formula of ChemDiv3_012526?
The molecular formula of ChemDiv3_012526 is C23H30N4O3S.
What is the molecular weight of ChemDiv3_012526?
The molecular weight of ChemDiv3_012526 is 442.20 g/mol.
Where can I buy ChemDiv3_012526?
You can request a quote for ChemDiv3_012526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012526?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.