![2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid structure](/static/products/4390/439096-37-4.webp)
2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid
TL;DR: 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid (CAS 439096-37-4) is a chemical compound with molecular formula C16H21N3O5S and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)quinazolin-2-yl]sulfanylacetic acid
Also Known As: 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid, 2-[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)quinazolin-2-yl]sulfanylacetic Acid, 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetic acid, 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}aceticacid
| Molecular Formula | C16H21N3O5S |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 1.74617 |
| Topological Polar Surface Area | 106.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 367.12018 |
| Heavy Atoms | 25 |
| Complexity | 821.50287 |
Chemical Identifiers
| CAS Number | 439096-37-4 |
|---|---|
| SMILES | COCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC(=O)O)OC)OC |
Product Overview
2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid (CAS 439096-37-4), with molecular formula C16H21N3O5S and molecular weight 367.12 g/mol. IUPAC: 2-[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)quinazolin-2-yl]sulfanylacetic acid.
Chemical Property Profile of 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid
Property Insights of 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid
The XLogP value of 1.74617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid. The TPSA of 106.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid has 2 hydrogen bond donor(s) and 7 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 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid?
The CAS number of 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid is 439096-37-4.
What is the molecular formula of 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid?
The molecular formula of 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid is C16H21N3O5S.
What is the molecular weight of 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid?
The molecular weight of 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid is 367.12 g/mol.
Where can I buy 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid?
You can request a quote for 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-imino-6,7-dimethoxy-3-(3-methoxypropyl)-3,4-dihydro-2-quinazolinyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.