J1.097.442I
TL;DR: J1.097.442I (CAS 859-38-1) is a chemical compound with molecular formula C20H23NO6 and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-(acetyloxymethyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: J1.097.442I, Benzyl 5-[(acetyloxy)methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate, A1940/0081561, benzyl 5-(acetoxymethyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1h-pyrrole-2-carboxylate, 2-acetoxymethyl-5-benzyloxycarbonyl-4-methyl-3 -methoxycarbonylethylpyrrole
| Molecular Formula | C20H23NO6 |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 373.15253 |
| Heavy Atoms | 27 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 859-38-1 |
|---|---|
| SMILES | CC1=C(NC(=C1CCC(=O)OC)COC(=O)C)C(=O)OCC2=CC=CC=C2 |
| InChIKey | WTRXRMOVEGCOPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
J1.097.442I (CAS 859-38-1), with molecular formula C20H23NO6 and molecular weight 373.15 g/mol. IUPAC: benzyl 5-(acetyloxymethyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of J1.097.442I
Property Insights of J1.097.442I
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.097.442I. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.097.442I. Following Lipinski's Rule of Five, J1.097.442I has 1 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 J1.097.442I?
The CAS number of J1.097.442I is 859-38-1.
What is the molecular formula of J1.097.442I?
The molecular formula of J1.097.442I is C20H23NO6.
What is the molecular weight of J1.097.442I?
The molecular weight of J1.097.442I is 373.15 g/mol.
Where can I buy J1.097.442I?
You can request a quote for J1.097.442I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.097.442I?
Yes, KEHONG BIO provides custom synthesis services for J1.097.442I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.