methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
TL;DR: methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate (CAS 302780-09-2) is a chemical compound with molecular formula C15H13N3O5 and molecular weight 315.09 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-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
Also Known As: methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate, (S)-methyl 6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C15H13N3O5 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 1.84948 |
| Topological Polar Surface Area | 128.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.0855 |
| Heavy Atoms | 23 |
| Complexity | 788.54724 |
Chemical Identifiers
| CAS Number | 302780-09-2 |
|---|---|
| SMILES | 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-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate (CAS 302780-09-2), with molecular formula C15H13N3O5 and molecular weight 315.09 g/mol. IUPAC: methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
Property Insights of methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
The XLogP value of 1.84948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate. The TPSA of 128.48 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate has 1 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 methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
The CAS number of methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate is 302780-09-2.
What is the molecular formula of methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
The molecular formula of methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate is C15H13N3O5.
What is the molecular weight of methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
The molecular weight of methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate is 315.09 g/mol.
Where can I buy methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
You can request a quote for methyl (4S)-6-amino-5-cyano-2-methyl-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-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.