BAS 00775576
TL;DR: BAS 00775576 (CAS 305869-36-7) is a chemical compound with molecular formula C28H23BrN2O3 and molecular weight 514.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-3-(benzylamino)-1-[5-(4-bromophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Also Known As: BAS 00775576, (2E)-N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]-2-[(4-methylphenyl)formamido]prop-2-enamide, (E)-N-(3-(benzylamino)-1-(5-(4-bromophenyl)furan-2-yl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide, N-[(E)-3-(benzylamino)-1-[5-(4-bromophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide, N-{(1E)-3-(benzylamino)-1-[5-(4-bromophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide
| Molecular Formula | C28H23BrN2O3 |
|---|---|
| Molecular Weight | 514.09 g/mol |
| LogP | 6.10482 |
| Topological Polar Surface Area | 71.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.08923 |
| Heavy Atoms | 34 |
| Complexity | 1308.0405 |
Chemical Identifiers
| CAS Number | 305869-36-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)Br)/C(=O)NCC4=CC=CC=C4 |
Product Overview
BAS 00775576 (CAS 305869-36-7), with molecular formula C28H23BrN2O3 and molecular weight 514.09 g/mol. IUPAC: N-[(E)-3-(benzylamino)-1-[5-(4-bromophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide.
Chemical Property Profile of BAS 00775576
Property Insights of BAS 00775576
The XLogP value of 6.10482 indicates that BAS 00775576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00775576. Following Lipinski's Rule of Five, BAS 00775576 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00775576?
The CAS number of BAS 00775576 is 305869-36-7.
What is the molecular formula of BAS 00775576?
The molecular formula of BAS 00775576 is C28H23BrN2O3.
What is the molecular weight of BAS 00775576?
The molecular weight of BAS 00775576 is 514.09 g/mol.
Where can I buy BAS 00775576?
You can request a quote for BAS 00775576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00775576?
Yes, KEHONG BIO provides custom synthesis services for BAS 00775576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.