methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah
TL;DR: methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah (CAS 61369-38-8) is a chemical compound with molecular formula C18H20N4O3 and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
Also Known As: methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah, methyl 4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
| Molecular Formula | C18H20N4O3 |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.15353 |
| Heavy Atoms | 25 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 61369-38-8 |
|---|---|
| SMILES | CN1C2=C(CCCC2)N=C(C1=NC(=O)NC3=CC=CC=C3)C(=O)OC |
| InChIKey | MCZQJKGOUILNEO-UHFFFAOYSA-N |
Product Overview
methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah (CAS 61369-38-8), with molecular formula C18H20N4O3 and molecular weight 340.15 g/mol. IUPAC: methyl 4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrahydroquinoxaline-2-carboxylate.
Chemical Property Profile of methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah
Property Insights of methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah. Following Lipinski's Rule of Five, methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah has 1 hydrogen bond donor(s) and 4 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 (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah?
The CAS number of methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah is 61369-38-8.
What is the molecular formula of methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah?
The molecular formula of methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah is C18H20N4O3.
What is the molecular weight of methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah?
The molecular weight of methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah is 340.15 g/mol.
Where can I buy methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah?
You can request a quote for methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah?
Yes, KEHONG BIO provides custom synthesis services for methyl (3E)-4-methyl-3-(phenylcarbamoylimino)-5,6,7,8-tetrah and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.