A4086/0174176
TL;DR: A4086/0174176 (CAS 893768-93-9) is a chemical compound with molecular formula C40H40N2O6 and molecular weight 644.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[[2-ethoxycarbonyl-3-(furan-2-yl)-5-phenylcyclohexa-1,5-dien-1-yl]amino]ethylamino]-6-(furan-2-yl)-4-phenylcyclohexa-1,3-diene-1-carboxylate
Also Known As: A4086/0174176, 1,1a(2)-Diethyl 2,2a(2)-(1,2-ethanediyldiimino)bis[6-(2-furanyl)-4-phenyl-1,3-cyclohexadiene-1-carboxylate], diethyl 2,2'-(ethane-1,2-diyldiimino)bis[6-(furan-2-yl)-4-phenylcyclohexa-1,3-diene-1-carboxylate], Diethyl 5,5'-[ethane-1,2-diylbis(azanediyl)]bis[3-(furan-2-yl)-2,3-dihydro[1,1'-biphenyl]-4-carboxylate], ETHYL 2-[(2-{[2-(ETHOXYCARBONYL)-3-(2-FURYL)-5-PHENYL-1,5-CYCLOHEXADIENYL]AMINO}ETHYL)AMINO]-6-(2-FURYL)-4-PHENYL-1,3-CYCLOHEXADIENE-1-CARBOXYLATE
| Molecular Formula | C40H40N2O6 |
|---|---|
| Molecular Weight | 644.29 g/mol |
| LogP | 7.5282 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 644.28864 |
| Heavy Atoms | 48 |
| Complexity | 1680.71 |
Chemical Identifiers
| CAS Number | 893768-93-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(CC1C2=CC=CO2)C3=CC=CC=C3)NCCNC4=C(C(CC(=C4)C5=CC=CC=C5)C6=CC=CO6)C(=O)OCC |
Product Overview
A4086/0174176 (CAS 893768-93-9), with molecular formula C40H40N2O6 and molecular weight 644.29 g/mol. IUPAC: ethyl 2-[2-[[2-ethoxycarbonyl-3-(furan-2-yl)-5-phenylcyclohexa-1,5-dien-1-yl]amino]ethylamino]-6-(furan-2-yl)-4-phenylcyclohexa-1,3-diene-1-carboxylate.
Chemical Property Profile of A4086/0174176
Property Insights of A4086/0174176
The XLogP value of 7.5282 indicates that A4086/0174176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.94 Ų falls within the moderate polarity range, balancing permeability and solubility for A4086/0174176. Following Lipinski's Rule of Five, A4086/0174176 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4086/0174176?
The CAS number of A4086/0174176 is 893768-93-9.
What is the molecular formula of A4086/0174176?
The molecular formula of A4086/0174176 is C40H40N2O6.
What is the molecular weight of A4086/0174176?
The molecular weight of A4086/0174176 is 644.29 g/mol.
Where can I buy A4086/0174176?
You can request a quote for A4086/0174176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4086/0174176?
Yes, KEHONG BIO provides custom synthesis services for A4086/0174176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.