![Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester structure](/static/products/1028/102810-33-3.webp)
Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester
TL;DR: Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester (CAS 102810-33-3) is a chemical compound with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-[(4-methoxycarbonylbenzoyl)amino]butylcarbamoyl]benzoate
Also Known As: N,N'-Di(4-carbomethoxybenzoyl)-1,4-butanediamine, Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester, Dimethyl 4,4'-(butane-1,4-diyldicarbamoyl)dibenzoate, Methyl 4-[4-[(4-methoxycarbonylbenzoyl)amino]butylcarbamoyl]benzoate, N,N -Tetramethylenebis[4-(methoxycarbonyl)benzamide]
| Molecular Formula | C22H24N2O6 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 2.1998 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.16342 |
| Heavy Atoms | 30 |
| Complexity | 815.3487 |
Chemical Identifiers
| CAS Number | 102810-33-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NCCCCNC(=O)C2=CC=C(C=C2)C(=O)OC |
Product Overview
Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester (CAS 102810-33-3), with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol. IUPAC: methyl 4-[4-[(4-methoxycarbonylbenzoyl)amino]butylcarbamoyl]benzoate.
Chemical Property Profile of Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester
Property Insights of Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester
The XLogP value of 2.1998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester has 2 hydrogen bond donor(s) and 6 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 Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester?
The CAS number of Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester is 102810-33-3.
What is the molecular formula of Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester?
The molecular formula of Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester is C22H24N2O6.
What is the molecular weight of Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester?
The molecular weight of Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester is 412.16 g/mol.
Where can I buy Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester?
You can request a quote for Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4,4'-[1,4-butanediylbis(iminocarbonyl)]bis-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.