12G-936
TL;DR: 12G-936 (CAS 321521-59-9) is a chemical compound with molecular formula C28H25ClN2O4 and molecular weight 488.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-dibenzyl-1-(2-chlorophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
Also Known As: 12G-936, methyl 1,5-dibenzyl-3-(2-chlorophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate, methyl 3,5-dibenzyl-1-(2-chlorophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate, methyl 1,5-dibenzyl-3-(2-chlorophenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylate, Methyl 3,8-dibenzyl-6-(2-chlorophenyl)-2,4-dioxo-3,7-diazabicyclo[3.3.0]octane-8-carboxylate
| Molecular Formula | C28H25ClN2O4 |
|---|---|
| Molecular Weight | 488.15 g/mol |
| LogP | 3.9402 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.1503 |
| Heavy Atoms | 35 |
| Complexity | 1266.2185 |
Chemical Identifiers
| CAS Number | 321521-59-9 |
|---|---|
| SMILES | COC(=O)C1(C2C(C(N1)C3=CC=CC=C3Cl)C(=O)N(C2=O)CC4=CC=CC=C4)CC5=CC=CC=C5 |
Product Overview
12G-936 (CAS 321521-59-9), with molecular formula C28H25ClN2O4 and molecular weight 488.15 g/mol. IUPAC: methyl 3,5-dibenzyl-1-(2-chlorophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate.
Chemical Property Profile of 12G-936
Property Insights of 12G-936
The XLogP value of 3.9402 indicates that 12G-936 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 12G-936. Following Lipinski's Rule of Five, 12G-936 has 1 hydrogen bond donor(s) and 5 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 12G-936?
The CAS number of 12G-936 is 321521-59-9.
What is the molecular formula of 12G-936?
The molecular formula of 12G-936 is C28H25ClN2O4.
What is the molecular weight of 12G-936?
The molecular weight of 12G-936 is 488.15 g/mol.
Where can I buy 12G-936?
You can request a quote for 12G-936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12G-936?
Yes, KEHONG BIO provides custom synthesis services for 12G-936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.