Compound 87-305
TL;DR: Compound 87-305 (CAS 117648-83-6) is a chemical compound with molecular formula C16H18N2O6 and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4,5-dimethoxy-2-nitrophenyl)-1,2-dimethylpyrrole-3-carboxylate
Also Known As: Compound 87-305, 1,2-Dimethyl-3-methoxycarbonyl-4-(2-nitro-4,5-dimethoxyphenyl)pyrrole, Methyl 4-(4,5-dimethoxy-2-nitrophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate, methyl 4-(4,5-dimethoxy-2-nitrophenyl)-1,2-dimethylpyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 4-(4,5-dimethoxy-2-nitrophenyl)-1,2-dimethyl-, methyl ester
| Molecular Formula | C16H18N2O6 |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.1165 |
| Heavy Atoms | 24 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 117648-83-6 |
|---|---|
| SMILES | CC1=C(C(=CN1C)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C(=O)OC |
| InChIKey | FJAXEHSRPNTENB-UHFFFAOYSA-N |
Product Overview
Compound 87-305 (CAS 117648-83-6), with molecular formula C16H18N2O6 and molecular weight 334.12 g/mol. IUPAC: methyl 4-(4,5-dimethoxy-2-nitrophenyl)-1,2-dimethylpyrrole-3-carboxylate.
Chemical Property Profile of Compound 87-305
Property Insights of Compound 87-305
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Compound 87-305. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Compound 87-305. Following Lipinski's Rule of Five, Compound 87-305 has 0 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 Compound 87-305?
The CAS number of Compound 87-305 is 117648-83-6.
What is the molecular formula of Compound 87-305?
The molecular formula of Compound 87-305 is C16H18N2O6.
What is the molecular weight of Compound 87-305?
The molecular weight of Compound 87-305 is 334.12 g/mol.
Where can I buy Compound 87-305?
You can request a quote for Compound 87-305 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound 87-305?
Yes, KEHONG BIO provides custom synthesis services for Compound 87-305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.