Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester
TL;DR: Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester (CAS 1252-44-4) is a chemical compound with molecular formula C23H30N2O4 and molecular weight 398.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[4-(C-ethoxycarbonimidoyl)phenoxy]pentoxy]benzenecarboximidate
Also Known As: Pentamidine Impurity 2, Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester, 4,4'-pentanediyldioxy-bis-benzimidic acid diethyl ester, ethyl 4-[5-[4-(C-ethoxycarbonimidoyl)phenoxy]pentoxy]benzenecarboximidate, Diethyl 4,4'-[pentane-1,5-diylbis(oxy)]di(benzene-1-carboximidate)
| Molecular Formula | C23H30N2O4 |
|---|---|
| Molecular Weight | 398.22 g/mol |
| LogP | 5.03844 |
| Topological Polar Surface Area | 84.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 398.22055 |
| Heavy Atoms | 29 |
| Complexity | 691.9522 |
Chemical Identifiers
| CAS Number | 1252-44-4 |
|---|---|
| SMILES | CCOC(=N)C1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)C(=N)OCC |
Product Overview
Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester (CAS 1252-44-4), with molecular formula C23H30N2O4 and molecular weight 398.22 g/mol. IUPAC: ethyl 4-[5-[4-(C-ethoxycarbonimidoyl)phenoxy]pentoxy]benzenecarboximidate.
Chemical Property Profile of Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester
Property Insights of Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester
The XLogP value of 5.03844 indicates that Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester. Following Lipinski's Rule of Five, Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester?
The CAS number of Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester is 1252-44-4.
What is the molecular formula of Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester?
The molecular formula of Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester is C23H30N2O4.
What is the molecular weight of Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester?
The molecular weight of Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester is 398.22 g/mol.
Where can I buy Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester?
You can request a quote for Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidic acid, 4,4'-(1,5-pentanediylbis(oxy))bis-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.