J1.904.921C
TL;DR: J1.904.921C (CAS 487007-67-0) is a chemical compound with molecular formula C17H15N3O7 and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
Also Known As: J1.904.921C, methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate, 4-(4-Nitrophenyl)-3-(methoxycarbonyl)-5-cyano-6-amino-4H-pyran-2-acetic acid methyl ester
| Molecular Formula | C17H15N3O7 |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 1.39268 |
| Topological Polar Surface Area | 154.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.091 |
| Heavy Atoms | 27 |
| Complexity | 894.0973 |
Chemical Identifiers
| CAS Number | 487007-67-0 |
|---|---|
| SMILES | COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
J1.904.921C (CAS 487007-67-0), with molecular formula C17H15N3O7 and molecular weight 373.09 g/mol. IUPAC: methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of J1.904.921C
Property Insights of J1.904.921C
The XLogP value of 1.39268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.904.921C. The TPSA of 154.78 Ų indicates high polarity, suggesting J1.904.921C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.904.921C has 1 hydrogen bond donor(s) and 9 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 J1.904.921C?
The CAS number of J1.904.921C is 487007-67-0.
What is the molecular formula of J1.904.921C?
The molecular formula of J1.904.921C is C17H15N3O7.
What is the molecular weight of J1.904.921C?
The molecular weight of J1.904.921C is 373.09 g/mol.
Where can I buy J1.904.921C?
You can request a quote for J1.904.921C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.904.921C?
Yes, KEHONG BIO provides custom synthesis services for J1.904.921C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.