ChemDiv3_005771
TL;DR: ChemDiv3_005771 (CAS 492437-40-8) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: ChemDiv3_005771, IDI1_023681, BRD-A08280804-001-01-3, 6-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid, 6-((benzo[d][1,3]dioxol-5-ylmethyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.4787 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 709.3607 |
Chemical Identifiers
| CAS Number | 492437-40-8 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O)C |
Product Overview
ChemDiv3_005771 (CAS 492437-40-8), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: 6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of ChemDiv3_005771
Property Insights of ChemDiv3_005771
The XLogP value of 2.4787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_005771. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005771. Following Lipinski's Rule of Five, ChemDiv3_005771 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_005771?
The CAS number of ChemDiv3_005771 is 492437-40-8.
What is the molecular formula of ChemDiv3_005771?
The molecular formula of ChemDiv3_005771 is C18H21NO5.
What is the molecular weight of ChemDiv3_005771?
The molecular weight of ChemDiv3_005771 is 331.14 g/mol.
Where can I buy ChemDiv3_005771?
You can request a quote for ChemDiv3_005771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005771?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.