ChemDiv3_004263
TL;DR: ChemDiv3_004263 (CAS 133594-57-7) is a chemical compound with molecular formula C23H23NO5 and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1,3-dimethyl-6-oxo-2-phenylcyclohepta[c]pyrrole-5,7-dicarboxylate
Also Known As: ChemDiv3_004263, IDI1_022173, BAS 05612774, BRD-K77499197-001-01-8, diethyl 1,3-dimethyl-6-oxo-2-phenyl-2,6-dihydrocyclohepta[c]pyrrole-5,7-dicarboxylate
| Molecular Formula | C23H23NO5 |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 3.96094 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.15762 |
| Heavy Atoms | 29 |
| Complexity | 1077.8773 |
Chemical Identifiers
| CAS Number | 133594-57-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N(C(=C2C=C(C1=O)C(=O)OCC)C)C3=CC=CC=C3)C |
Product Overview
ChemDiv3_004263 (CAS 133594-57-7), with molecular formula C23H23NO5 and molecular weight 393.16 g/mol. IUPAC: diethyl 1,3-dimethyl-6-oxo-2-phenylcyclohepta[c]pyrrole-5,7-dicarboxylate.
Chemical Property Profile of ChemDiv3_004263
Property Insights of ChemDiv3_004263
The XLogP value of 3.96094 indicates that ChemDiv3_004263 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004263. Following Lipinski's Rule of Five, ChemDiv3_004263 has 0 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 ChemDiv3_004263?
The CAS number of ChemDiv3_004263 is 133594-57-7.
What is the molecular formula of ChemDiv3_004263?
The molecular formula of ChemDiv3_004263 is C23H23NO5.
What is the molecular weight of ChemDiv3_004263?
The molecular weight of ChemDiv3_004263 is 393.16 g/mol.
Where can I buy ChemDiv3_004263?
You can request a quote for ChemDiv3_004263 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004263?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004263 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.