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methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate
TL;DR: methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate (CAS 478039-25-7) is a chemical compound with molecular formula C17H14ClN3O2S and molecular weight 359.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-chlorophenyl)-4-iminoquinazolin-2-yl]sulfanylacetate
Also Known As: methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate, 3R-0071, methyl 2-[3-(4-chlorophenyl)-4-iminoquinazolin-2-yl]sulfanylacetate, methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate, Methyl {[3-(4-chlorophenyl)-4-imino-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
| Molecular Formula | C17H14ClN3O2S |
|---|---|
| Molecular Weight | 359.05 g/mol |
| LogP | 3.42347 |
| Topological Polar Surface Area | 67.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.04953 |
| Heavy Atoms | 24 |
| Complexity | 954.202 |
Chemical Identifiers
| CAS Number | 478039-25-7 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=CC=CC=C2C(=N)N1C3=CC=C(C=C3)Cl |
Product Overview
methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate (CAS 478039-25-7), with molecular formula C17H14ClN3O2S and molecular weight 359.05 g/mol. IUPAC: methyl 2-[3-(4-chlorophenyl)-4-iminoquinazolin-2-yl]sulfanylacetate.
Chemical Property Profile of methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate
Property Insights of methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate
The XLogP value of 3.42347 indicates that methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.97 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate. Following Lipinski's Rule of Five, methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate has 1 hydrogen bond donor(s) and 5 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 methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate?
The CAS number of methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate is 478039-25-7.
What is the molecular formula of methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate?
The molecular formula of methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate is C17H14ClN3O2S.
What is the molecular weight of methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate?
The molecular weight of methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate is 359.05 g/mol.
Where can I buy methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate?
You can request a quote for methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[3-(4-chlorophenyl)-4-imino-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.