7R-0036
TL;DR: 7R-0036 (CAS 439111-40-7) is a chemical compound with molecular formula C23H22BrNO4 and molecular weight 455.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-benzyl 3-O-methyl 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 7R-0036, 3-benzyl 5-methyl 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate, 5-O-benzyl 3-O-methyl 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3-benzyl 5-methyl 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3-benzyl5-methyl4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C23H22BrNO4 |
|---|---|
| Molecular Weight | 455.07 g/mol |
| LogP | 4.6003 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.0732 |
| Heavy Atoms | 29 |
| Complexity | 977.69727 |
Chemical Identifiers
| CAS Number | 439111-40-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)OC |
Product Overview
7R-0036 (CAS 439111-40-7), with molecular formula C23H22BrNO4 and molecular weight 455.07 g/mol. IUPAC: 5-O-benzyl 3-O-methyl 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 7R-0036
Property Insights of 7R-0036
The XLogP value of 4.6003 indicates that 7R-0036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 7R-0036. Following Lipinski's Rule of Five, 7R-0036 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 7R-0036?
The CAS number of 7R-0036 is 439111-40-7.
What is the molecular formula of 7R-0036?
The molecular formula of 7R-0036 is C23H22BrNO4.
What is the molecular weight of 7R-0036?
The molecular weight of 7R-0036 is 455.07 g/mol.
Where can I buy 7R-0036?
You can request a quote for 7R-0036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7R-0036?
Yes, KEHONG BIO provides custom synthesis services for 7R-0036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.