RefChem:305581
TL;DR: RefChem:305581 (CAS 96001-66-0) is a chemical compound with molecular formula C22H25NO3 and molecular weight 351.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-3-yl) 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
Also Known As: 1-Methyl-3-piperidyl 5-hydroxydibenzo(a,d)cycloheptadiene-5-carboxylate, 5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-5-hydroxy-, (1-methyl-3-piperidyl) ester, 1-Methylpiperidin-3-yl 5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulene-5-carboxylate, 5H-DIBENZO(a,d)CYCLOHEPTENE-5-CARBOXYLIC ACID, 10,11-DIHYDRO-5-HYDROXY-, (1-METH, 1-methylpiperidin-3-yl 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
| Molecular Formula | C22H25NO3 |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.18344 |
| Heavy Atoms | 26 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 96001-66-0 |
|---|---|
| SMILES | CN1CCCC(C1)OC(=O)C2(C3=CC=CC=C3CCC4=CC=CC=C42)O |
| InChIKey | KSXVDJKOZRKKQB-UHFFFAOYSA-N |
Product Overview
RefChem:305581 (CAS 96001-66-0), with molecular formula C22H25NO3 and molecular weight 351.18 g/mol. IUPAC: (1-methylpiperidin-3-yl) 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate.
Chemical Property Profile of RefChem:305581
Property Insights of RefChem:305581
The XLogP value of 3.5 indicates that RefChem:305581 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:305581 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305581 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 RefChem:305581?
The CAS number of RefChem:305581 is 96001-66-0.
What is the molecular formula of RefChem:305581?
The molecular formula of RefChem:305581 is C22H25NO3.
What is the molecular weight of RefChem:305581?
The molecular weight of RefChem:305581 is 351.18 g/mol.
Where can I buy RefChem:305581?
You can request a quote for RefChem:305581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305581?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.