ChemDiv1_013126
TL;DR: ChemDiv1_013126 (CAS 443350-13-8) is a chemical compound with molecular formula C28H34N4O7S and molecular weight 570.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxoquinazoline-7-carboxylate
Also Known As: ChemDiv1_013126, methyl 2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-3-[2-(morpholin-4-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate, methyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxoquinazoline-7-carboxylate, methyl 2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)thio]-3-(2-morpholin-4-ylethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
| Molecular Formula | C28H34N4O7S |
|---|---|
| Molecular Weight | 570.21 g/mol |
| LogP | 1.9835 |
| Topological Polar Surface Area | 121.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 570.21484 |
| Heavy Atoms | 40 |
| Complexity | 1405.4038 |
Chemical Identifiers
| CAS Number | 443350-13-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCN4CCOCC4)OC |
Product Overview
ChemDiv1_013126 (CAS 443350-13-8), with molecular formula C28H34N4O7S and molecular weight 570.21 g/mol. IUPAC: methyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxoquinazoline-7-carboxylate.
Chemical Property Profile of ChemDiv1_013126
Property Insights of ChemDiv1_013126
The XLogP value of 1.9835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_013126. The TPSA of 121.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013126. Following Lipinski's Rule of Five, ChemDiv1_013126 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013126?
The CAS number of ChemDiv1_013126 is 443350-13-8.
What is the molecular formula of ChemDiv1_013126?
The molecular formula of ChemDiv1_013126 is C28H34N4O7S.
What is the molecular weight of ChemDiv1_013126?
The molecular weight of ChemDiv1_013126 is 570.21 g/mol.
Where can I buy ChemDiv1_013126?
You can request a quote for ChemDiv1_013126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013126?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.