BAS 00386060
TL;DR: BAS 00386060 (CAS 331665-54-4) is a chemical compound with molecular formula C16H14Br2N2O4 and molecular weight 455.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[(E)-1-(4-bromophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Also Known As: BAS 00386060, AB00093342-01, 5-bromo-N-(2-(4-bromophenyl)-1-{[(2-hydroxyethyl)amino]carbonyl}vinyl)-2-furamide, (E)-5-bromo-N-(1-(4-bromophenyl)-3-((2-hydroxyethyl)amino)-3-oxoprop-1-en-2-yl)furan-2-carboxamide, 5-bromo-N-[(E)-1-(4-bromophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
| Molecular Formula | C16H14Br2N2O4 |
|---|---|
| Molecular Weight | 455.93 g/mol |
| LogP | 2.684 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.93204 |
| Heavy Atoms | 24 |
| Complexity | 753.6928 |
Chemical Identifiers
| CAS Number | 331665-54-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C(=O)NCCO)/NC(=O)C2=CC=C(O2)Br)Br |
Product Overview
BAS 00386060 (CAS 331665-54-4), with molecular formula C16H14Br2N2O4 and molecular weight 455.93 g/mol. IUPAC: 5-bromo-N-[(E)-1-(4-bromophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
Chemical Property Profile of BAS 00386060
Property Insights of BAS 00386060
The XLogP value of 2.684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00386060. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00386060. Following Lipinski's Rule of Five, BAS 00386060 has 3 hydrogen bond donor(s) and 4 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 00386060?
The CAS number of BAS 00386060 is 331665-54-4.
What is the molecular formula of BAS 00386060?
The molecular formula of BAS 00386060 is C16H14Br2N2O4.
What is the molecular weight of BAS 00386060?
The molecular weight of BAS 00386060 is 455.93 g/mol.
Where can I buy BAS 00386060?
You can request a quote for BAS 00386060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386060?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.