BAS 00758748
TL;DR: BAS 00758748 (CAS 333341-07-4) is a chemical compound with molecular formula C17H16N2O6 and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: BAS 00758748, methyl 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, methyl 2-amino-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate, methyl 2-amino-4-(4-nitrophenyl)-5-oxo-4H-6,7,8-trihydrochromene-3-carboxylate, methyl 2-amino-4-{4-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
| Molecular Formula | C17H16N2O6 |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 2.059 |
| Topological Polar Surface Area | 121.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.10083 |
| Heavy Atoms | 25 |
| Complexity | 822.04474 |
Chemical Identifiers
| CAS Number | 333341-07-4 |
|---|---|
| SMILES | COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CCC2)N |
Product Overview
BAS 00758748 (CAS 333341-07-4), with molecular formula C17H16N2O6 and molecular weight 344.10 g/mol. IUPAC: methyl 2-amino-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of BAS 00758748
Property Insights of BAS 00758748
The XLogP value of 2.059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00758748. The TPSA of 121.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00758748. Following Lipinski's Rule of Five, BAS 00758748 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 BAS 00758748?
The CAS number of BAS 00758748 is 333341-07-4.
What is the molecular formula of BAS 00758748?
The molecular formula of BAS 00758748 is C17H16N2O6.
What is the molecular weight of BAS 00758748?
The molecular weight of BAS 00758748 is 344.10 g/mol.
Where can I buy BAS 00758748?
You can request a quote for BAS 00758748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00758748?
Yes, KEHONG BIO provides custom synthesis services for BAS 00758748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.