methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
TL;DR: methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate (CAS 303966-90-7) 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 (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
Also Known As: methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate, (S)-6-Amino-5-cyano-2-methoxycarbonylmethyl-4-(2-nitro-phenyl)-4H-pyran-3-carboxylic acid methyl ester, (S)-methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
| 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 | 911.3473 |
Chemical Identifiers
| CAS Number | 303966-90-7 |
|---|---|
| SMILES | COC(=O)CC1=C([C@H](C(=C(O1)N)C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
Product Overview
methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate (CAS 303966-90-7), with molecular formula C17H15N3O7 and molecular weight 373.09 g/mol. IUPAC: methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
Property Insights of methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
The XLogP value of 1.39268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate. The TPSA of 154.78 Ų indicates high polarity, suggesting methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate 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 methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
The CAS number of methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate is 303966-90-7.
What is the molecular formula of methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
The molecular formula of methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate is C17H15N3O7.
What is the molecular weight of methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
The molecular weight of methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate is 373.09 g/mol.
Where can I buy methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
You can request a quote for methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.