ChemDiv2_005116
TL;DR: ChemDiv2_005116 (CAS 867138-03-2) is a chemical compound with molecular formula C22H19NO6 and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: ChemDiv2_005116, IDI1_003831, AO-022/42864271, methyl 4-[2-(2-methoxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
| Molecular Formula | C22H19NO6 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 2.7712 |
| Topological Polar Surface Area | 86.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.12125 |
| Heavy Atoms | 29 |
| Complexity | 1148.1714 |
Chemical Identifiers
| CAS Number | 867138-03-2 |
|---|---|
| SMILES | COCCN1C(C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)OC |
Product Overview
ChemDiv2_005116 (CAS 867138-03-2), with molecular formula C22H19NO6 and molecular weight 393.12 g/mol. IUPAC: methyl 4-[2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of ChemDiv2_005116
Property Insights of ChemDiv2_005116
The XLogP value of 2.7712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005116. The TPSA of 86.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005116. Following Lipinski's Rule of Five, ChemDiv2_005116 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 ChemDiv2_005116?
The CAS number of ChemDiv2_005116 is 867138-03-2.
What is the molecular formula of ChemDiv2_005116?
The molecular formula of ChemDiv2_005116 is C22H19NO6.
What is the molecular weight of ChemDiv2_005116?
The molecular weight of ChemDiv2_005116 is 393.12 g/mol.
Where can I buy ChemDiv2_005116?
You can request a quote for ChemDiv2_005116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005116?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.