BIM-0046686.P001
TL;DR: BIM-0046686.P001 (CAS 473446-95-6) is a chemical compound with molecular formula C20H26N2O4 and molecular weight 358.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: BIM-0046686.P001, 3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-(4-(2,3-dimethylphenyl)piperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[4-(2,3-DIMETHYLPHENYL)PIPERAZINE-1-CARBONYL]-7-OXABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID
| Molecular Formula | C20H26N2O4 |
|---|---|
| Molecular Weight | 358.19 g/mol |
| LogP | 1.83024 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.18927 |
| Heavy Atoms | 26 |
| Complexity | 726.5214 |
Chemical Identifiers
| CAS Number | 473446-95-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3C4CCC(C3C(=O)O)O4)C |
Product Overview
BIM-0046686.P001 (CAS 473446-95-6), with molecular formula C20H26N2O4 and molecular weight 358.19 g/mol. IUPAC: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of BIM-0046686.P001
Property Insights of BIM-0046686.P001
The XLogP value of 1.83024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0046686.P001. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0046686.P001. Following Lipinski's Rule of Five, BIM-0046686.P001 has 1 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 BIM-0046686.P001?
The CAS number of BIM-0046686.P001 is 473446-95-6.
What is the molecular formula of BIM-0046686.P001?
The molecular formula of BIM-0046686.P001 is C20H26N2O4.
What is the molecular weight of BIM-0046686.P001?
The molecular weight of BIM-0046686.P001 is 358.19 g/mol.
Where can I buy BIM-0046686.P001?
You can request a quote for BIM-0046686.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0046686.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0046686.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.