BAS 02072963
TL;DR: BAS 02072963 (CAS 299441-22-8) is a chemical compound with molecular formula C20H15Cl3N2O4 and molecular weight 452.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-methyl-4-[5-(2,4,6-trichlorophenyl)furan-2-yl]-4H-pyran-3-carboxylate
Also Known As: BAS 02072963, ethyl 6-amino-5-cyano-2-methyl-4-[5-(2,4,6-trichlorophenyl)furan-2-yl]-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-methyl-4-(5-(2,4,6-trichlorophenyl)furan-2-yl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-methyl-4-[5-(2,4,6-trichlorophenyl)(2-furyl)]-4H-pyran -3-carboxylate, ethyl 6-amino-5-cyano-2-methyl-4-[5-(2,4,6-trichlorophenyl)-2-furyl]-4H-pyran-3-carboxylate
| Molecular Formula | C20H15Cl3N2O4 |
|---|---|
| Molecular Weight | 452.01 g/mol |
| LogP | 5.55158 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.00974 |
| Heavy Atoms | 29 |
| Complexity | 1072.3813 |
Chemical Identifiers
| CAS Number | 299441-22-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(O2)C3=C(C=C(C=C3Cl)Cl)Cl)C#N)N)C |
Product Overview
BAS 02072963 (CAS 299441-22-8), with molecular formula C20H15Cl3N2O4 and molecular weight 452.01 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-methyl-4-[5-(2,4,6-trichlorophenyl)furan-2-yl]-4H-pyran-3-carboxylate.
Chemical Property Profile of BAS 02072963
Property Insights of BAS 02072963
The XLogP value of 5.55158 indicates that BAS 02072963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02072963. Following Lipinski's Rule of Five, BAS 02072963 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02072963?
The CAS number of BAS 02072963 is 299441-22-8.
What is the molecular formula of BAS 02072963?
The molecular formula of BAS 02072963 is C20H15Cl3N2O4.
What is the molecular weight of BAS 02072963?
The molecular weight of BAS 02072963 is 452.01 g/mol.
Where can I buy BAS 02072963?
You can request a quote for BAS 02072963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02072963?
Yes, KEHONG BIO provides custom synthesis services for BAS 02072963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.