ChemDiv3_002584
TL;DR: ChemDiv3_002584 (CAS 473721-41-4) is a chemical compound with molecular formula C17H17NO5 and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: ChemDiv3_002584, BRD-A79973391-001-01-6, 3-((benzo[d][1,3]dioxol-5-ylmethyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
| Molecular Formula | C17H17NO5 |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 1.5544 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.1107 |
| Heavy Atoms | 23 |
| Complexity | 698.2242 |
Chemical Identifiers
| CAS Number | 473721-41-4 |
|---|---|
| SMILES | C1C2C=CC1C(C2C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O |
Product Overview
ChemDiv3_002584 (CAS 473721-41-4), with molecular formula C17H17NO5 and molecular weight 315.11 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of ChemDiv3_002584
Property Insights of ChemDiv3_002584
The XLogP value of 1.5544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_002584. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002584. Following Lipinski's Rule of Five, ChemDiv3_002584 has 2 hydrogen bond donor(s) and 4 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_002584?
The CAS number of ChemDiv3_002584 is 473721-41-4.
What is the molecular formula of ChemDiv3_002584?
The molecular formula of ChemDiv3_002584 is C17H17NO5.
What is the molecular weight of ChemDiv3_002584?
The molecular weight of ChemDiv3_002584 is 315.11 g/mol.
Where can I buy ChemDiv3_002584?
You can request a quote for ChemDiv3_002584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002584?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.