![3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide structure](/static/products/4222/422290-22-0.webp)
3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
TL;DR: 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CAS 422290-22-0) is a chemical compound with molecular formula C28H27ClFN3O4S and molecular weight 555.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Also Known As: 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide, F3407-3926, 3-(2-((2-chloro-6-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-(3,4-dimethoxyphenethyl)propanamide, 3-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
| Molecular Formula | C28H27ClFN3O4S |
|---|---|
| Molecular Weight | 555.14 g/mol |
| LogP | 5.2475 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 555.13947 |
| Heavy Atoms | 38 |
| Complexity | 1491.452 |
Chemical Identifiers
| CAS Number | 422290-22-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F)OC |
Product Overview
3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CAS 422290-22-0), with molecular formula C28H27ClFN3O4S and molecular weight 555.14 g/mol. IUPAC: 3-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
Chemical Property Profile of 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Property Insights of 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
The XLogP value of 5.2475 indicates that 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide. Following Lipinski's Rule of Five, 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has 1 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 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The CAS number of 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is 422290-22-0.
What is the molecular formula of 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The molecular formula of 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is C28H27ClFN3O4S.
What is the molecular weight of 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The molecular weight of 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is 555.14 g/mol.
Where can I buy 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
You can request a quote for 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.