BAS 07416833
TL;DR: BAS 07416833 (CAS 340809-27-0) is a chemical compound with molecular formula C17H15FN2O5 and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Also Known As: BAS 07416833, methyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate, methyl 2-[6-amino-5-cyano-4-(3-fluorophenyl)-3-(methoxycarbonyl)-4H-pyran-2-yl ]acetate
| Molecular Formula | C17H15FN2O5 |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 1.62358 |
| Topological Polar Surface Area | 111.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.0965 |
| Heavy Atoms | 25 |
| Complexity | 822.57227 |
Chemical Identifiers
| CAS Number | 340809-27-0 |
|---|---|
| SMILES | COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)F)C(=O)OC |
Product Overview
BAS 07416833 (CAS 340809-27-0), with molecular formula C17H15FN2O5 and molecular weight 346.10 g/mol. IUPAC: methyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of BAS 07416833
Property Insights of BAS 07416833
The XLogP value of 1.62358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07416833. The TPSA of 111.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07416833. Following Lipinski's Rule of Five, BAS 07416833 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 07416833?
The CAS number of BAS 07416833 is 340809-27-0.
What is the molecular formula of BAS 07416833?
The molecular formula of BAS 07416833 is C17H15FN2O5.
What is the molecular weight of BAS 07416833?
The molecular weight of BAS 07416833 is 346.10 g/mol.
Where can I buy BAS 07416833?
You can request a quote for BAS 07416833 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07416833?
Yes, KEHONG BIO provides custom synthesis services for BAS 07416833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.