ChemDiv1_013805
TL;DR: ChemDiv1_013805 (CAS 450371-92-3) is a chemical compound with molecular formula C26H27ClN4O4S and molecular weight 526.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-N-(oxolan-2-ylmethyl)-3-prop-2-enylquinazoline-7-carboxamide
Also Known As: ChemDiv1_013805, F0913-4125, 2-[({[(2-chlorophenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide, 2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-N-(oxolan-2-ylmethyl)-3-prop-2-enylquinazoline-7-carboxamide, 3-allyl-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-3,4-dihydroquinazoline-7-carboxamide
| Molecular Formula | C26H27ClN4O4S |
|---|---|
| Molecular Weight | 526.14 g/mol |
| LogP | 3.5532 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 526.14417 |
| Heavy Atoms | 36 |
| Complexity | 1337.259 |
Chemical Identifiers
| CAS Number | 450371-92-3 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)NCC4=CC=CC=C4Cl |
Product Overview
ChemDiv1_013805 (CAS 450371-92-3), with molecular formula C26H27ClN4O4S and molecular weight 526.14 g/mol. IUPAC: 2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-N-(oxolan-2-ylmethyl)-3-prop-2-enylquinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv1_013805
Property Insights of ChemDiv1_013805
The XLogP value of 3.5532 indicates that ChemDiv1_013805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013805. Following Lipinski's Rule of Five, ChemDiv1_013805 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013805?
The CAS number of ChemDiv1_013805 is 450371-92-3.
What is the molecular formula of ChemDiv1_013805?
The molecular formula of ChemDiv1_013805 is C26H27ClN4O4S.
What is the molecular weight of ChemDiv1_013805?
The molecular weight of ChemDiv1_013805 is 526.14 g/mol.
Where can I buy ChemDiv1_013805?
You can request a quote for ChemDiv1_013805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013805?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.