BAS 00386034
TL;DR: BAS 00386034 (CAS 331661-72-4) is a chemical compound with molecular formula C21H16BrN3O5 and molecular weight 469.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide
Also Known As: BAS 00386034, N-[(E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide, (2E)-2-[(5-bromo(2-furyl))carbonylamino]-3-(3-nitrophenyl)-N-benzylprop-2-enam ide, (E)-N-(3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-5-bromofuran-2-carboxamide, N-[(1E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide
| Molecular Formula | C21H16BrN3O5 |
|---|---|
| Molecular Weight | 469.03 g/mol |
| LogP | 4.0376 |
| Topological Polar Surface Area | 114.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.02734 |
| Heavy Atoms | 30 |
| Complexity | 1108.5944 |
Chemical Identifiers
| CAS Number | 331661-72-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=C(O3)Br |
Product Overview
BAS 00386034 (CAS 331661-72-4), with molecular formula C21H16BrN3O5 and molecular weight 469.03 g/mol. IUPAC: N-[(E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide.
Chemical Property Profile of BAS 00386034
Property Insights of BAS 00386034
The XLogP value of 4.0376 indicates that BAS 00386034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00386034. Following Lipinski's Rule of Five, BAS 00386034 has 2 hydrogen bond donor(s) and 5 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 00386034?
The CAS number of BAS 00386034 is 331661-72-4.
What is the molecular formula of BAS 00386034?
The molecular formula of BAS 00386034 is C21H16BrN3O5.
What is the molecular weight of BAS 00386034?
The molecular weight of BAS 00386034 is 469.03 g/mol.
Where can I buy BAS 00386034?
You can request a quote for BAS 00386034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386034?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.