4-carboxamidopyrrolidinophenyl-aniline
TL;DR: 4-carboxamidopyrrolidinophenyl-aniline (CAS 56302-91-1) is a chemical compound with molecular formula C27H31N3O7 and molecular weight 509.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzoate
Also Known As: 4-carboxamidopyrrolidinophenyl-aniline, Benzoic acid, 2-((6-methyl-2-(3,4,5-trimethoxyphenyl)-4-pyrimidinyl)amino)-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzoate, (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 2-{[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4(3H)-ylidene]amino}benzoate, 2-((6-METHYL-2-(3,4,5-TRIMETHOXYPHENYL)-PYRIMIDIN-4-YL)AMINO)BENZOIC ACID (2,2-DIMETHYL-1,3-DIOXOLAN-4- YL)METHYL ESTER
| Molecular Formula | C27H31N3O7 |
|---|---|
| Molecular Weight | 509.22 g/mol |
| LogP | 4.52972 |
| Topological Polar Surface Area | 110.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.2162 |
| Heavy Atoms | 37 |
| Complexity | 1253.5997 |
Chemical Identifiers
| CAS Number | 56302-91-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)NC3=CC=CC=C3C(=O)OCC4COC(O4)(C)C |
Product Overview
4-carboxamidopyrrolidinophenyl-aniline (CAS 56302-91-1), with molecular formula C27H31N3O7 and molecular weight 509.22 g/mol. IUPAC: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzoate.
Chemical Property Profile of 4-carboxamidopyrrolidinophenyl-aniline
Property Insights of 4-carboxamidopyrrolidinophenyl-aniline
The XLogP value of 4.52972 indicates that 4-carboxamidopyrrolidinophenyl-aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-carboxamidopyrrolidinophenyl-aniline. Following Lipinski's Rule of Five, 4-carboxamidopyrrolidinophenyl-aniline has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-carboxamidopyrrolidinophenyl-aniline?
The CAS number of 4-carboxamidopyrrolidinophenyl-aniline is 56302-91-1.
What is the molecular formula of 4-carboxamidopyrrolidinophenyl-aniline?
The molecular formula of 4-carboxamidopyrrolidinophenyl-aniline is C27H31N3O7.
What is the molecular weight of 4-carboxamidopyrrolidinophenyl-aniline?
The molecular weight of 4-carboxamidopyrrolidinophenyl-aniline is 509.22 g/mol.
Where can I buy 4-carboxamidopyrrolidinophenyl-aniline?
You can request a quote for 4-carboxamidopyrrolidinophenyl-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-carboxamidopyrrolidinophenyl-aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-carboxamidopyrrolidinophenyl-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.