ChemDiv3_005224
TL;DR: ChemDiv3_005224 (CAS 313399-73-4) is a chemical compound with molecular formula C21H17NO6 and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]benzoic acid
Also Known As: ChemDiv3_005224, IDI1_023134, 4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]benzoic acid, 4-{[1,3-dioxo-2-(tetrahydro-2-furanylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}benzoic acid, 4-{[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}benzoic acid
| Molecular Formula | C21H17NO6 |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 2.3908 |
| Topological Polar Surface Area | 100.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.1056 |
| Heavy Atoms | 28 |
| Complexity | 988.45544 |
Chemical Identifiers
| CAS Number | 313399-73-4 |
|---|---|
| SMILES | C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O |
Product Overview
ChemDiv3_005224 (CAS 313399-73-4), with molecular formula C21H17NO6 and molecular weight 379.11 g/mol. IUPAC: 4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]benzoic acid.
Chemical Property Profile of ChemDiv3_005224
Property Insights of ChemDiv3_005224
The XLogP value of 2.3908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_005224. The TPSA of 100.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005224. Following Lipinski's Rule of Five, ChemDiv3_005224 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 ChemDiv3_005224?
The CAS number of ChemDiv3_005224 is 313399-73-4.
What is the molecular formula of ChemDiv3_005224?
The molecular formula of ChemDiv3_005224 is C21H17NO6.
What is the molecular weight of ChemDiv3_005224?
The molecular weight of ChemDiv3_005224 is 379.11 g/mol.
Where can I buy ChemDiv3_005224?
You can request a quote for ChemDiv3_005224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005224?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.