BAS 00776180
TL;DR: BAS 00776180 (CAS 313232-66-5) is a chemical compound with molecular formula C28H23ClN2O3 and molecular weight 470.14 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-chlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Also Known As: BAS 00776180, AE-848/07783023, N-{1-[(benzylamino)carbonyl]-2-[5-(4-chlorophenyl)-2-furyl]vinyl}-4-methylbenzamide, N-[(E)-3-(benzylamino)-1-[5-(4-chlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide, (2E)-N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]-2-[(4-methylphenyl)formamido]prop-2-enamide
| Molecular Formula | C28H23ClN2O3 |
|---|---|
| Molecular Weight | 470.14 g/mol |
| LogP | 5.99572 |
| Topological Polar Surface Area | 71.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.1397 |
| Heavy Atoms | 34 |
| Complexity | 1308.0405 |
Chemical Identifiers
| CAS Number | 313232-66-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl)/C(=O)NCC4=CC=CC=C4 |
Product Overview
BAS 00776180 (CAS 313232-66-5), with molecular formula C28H23ClN2O3 and molecular weight 470.14 g/mol. IUPAC: N-[(E)-3-(benzylamino)-1-[5-(4-chlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide.
Chemical Property Profile of BAS 00776180
Property Insights of BAS 00776180
The XLogP value of 5.99572 indicates that BAS 00776180 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 00776180. Following Lipinski's Rule of Five, BAS 00776180 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 00776180?
The CAS number of BAS 00776180 is 313232-66-5.
What is the molecular formula of BAS 00776180?
The molecular formula of BAS 00776180 is C28H23ClN2O3.
What is the molecular weight of BAS 00776180?
The molecular weight of BAS 00776180 is 470.14 g/mol.
Where can I buy BAS 00776180?
You can request a quote for BAS 00776180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00776180?
Yes, KEHONG BIO provides custom synthesis services for BAS 00776180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.