A3474/0147321
TL;DR: A3474/0147321 (CAS 1005061-32-4) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1-(2-hydroxy-3-methoxyphenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
Also Known As: A3474/0147321, 1-benzyl-3-(2-hydroxy-3-methoxyphenyl)-5-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-benzyl-1-(2-hydroxy-3-methoxyphenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid, Octahydro-3-(2-hydroxy-3-methoxyphenyl)-5-methyl-4,6-dioxo-1-(phenylmethyl)pyrrolo[3,4-c]pyrrole-1-carboxylic acid
| Molecular Formula | C22H22N2O6 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 1.3422 |
| Topological Polar Surface Area | 116.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1478 |
| Heavy Atoms | 30 |
| Complexity | 1023.5428 |
Chemical Identifiers
| CAS Number | 1005061-32-4 |
|---|---|
| SMILES | CN1C(=O)C2C(C1=O)C(NC2C3=C(C(=CC=C3)OC)O)(CC4=CC=CC=C4)C(=O)O |
Product Overview
A3474/0147321 (CAS 1005061-32-4), with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol. IUPAC: 3-benzyl-1-(2-hydroxy-3-methoxyphenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid.
Chemical Property Profile of A3474/0147321
Property Insights of A3474/0147321
The XLogP value of 1.3422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3474/0147321. The TPSA of 116.17 Ų falls within the moderate polarity range, balancing permeability and solubility for A3474/0147321. Following Lipinski's Rule of Five, A3474/0147321 has 3 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 A3474/0147321?
The CAS number of A3474/0147321 is 1005061-32-4.
What is the molecular formula of A3474/0147321?
The molecular formula of A3474/0147321 is C22H22N2O6.
What is the molecular weight of A3474/0147321?
The molecular weight of A3474/0147321 is 410.15 g/mol.
Where can I buy A3474/0147321?
You can request a quote for A3474/0147321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3474/0147321?
Yes, KEHONG BIO provides custom synthesis services for A3474/0147321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.