BAS 00386053
TL;DR: BAS 00386053 (CAS 331661-77-9) is a chemical compound with molecular formula C18H16Br2N2O4 and molecular weight 481.95 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-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Also Known As: BAS 00386053, (E)-5-bromo-N-(1-(4-bromophenyl)-3-morpholino-3-oxoprop-1-en-2-yl)furan-2-carboxamide, 5-bromo-N-[(1E)-1-(4-bromophenyl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide, 5-bromo-N-[(E)-1-(4-bromophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
| Molecular Formula | C18H16Br2N2O4 |
|---|---|
| Molecular Weight | 481.95 g/mol |
| LogP | 3.4343 |
| Topological Polar Surface Area | 71.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.9477 |
| Heavy Atoms | 26 |
| Complexity | 823.97156 |
Chemical Identifiers
| CAS Number | 331661-77-9 |
|---|---|
| SMILES | C1COCCN1C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=C(O3)Br |
Product Overview
BAS 00386053 (CAS 331661-77-9), with molecular formula C18H16Br2N2O4 and molecular weight 481.95 g/mol. IUPAC: 5-bromo-N-[(E)-1-(4-bromophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
Chemical Property Profile of BAS 00386053
Property Insights of BAS 00386053
The XLogP value of 3.4343 indicates that BAS 00386053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00386053. Following Lipinski's Rule of Five, BAS 00386053 has 1 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 00386053?
The CAS number of BAS 00386053 is 331661-77-9.
What is the molecular formula of BAS 00386053?
The molecular formula of BAS 00386053 is C18H16Br2N2O4.
What is the molecular weight of BAS 00386053?
The molecular weight of BAS 00386053 is 481.95 g/mol.
Where can I buy BAS 00386053?
You can request a quote for BAS 00386053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386053?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.