CID 54098
TL;DR: CID 54098 (CAS 6739-81-7) is a chemical compound with molecular formula C22H27NO and molecular weight 321.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-methylpyrrolidin-2-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Also Known As: 10,11-Dihydro-5-[2-(1-methyl-2-pyrrolidinyl)ethyl]-5H-dibenzo[a,d]cyclohepten-5-ol, 5-[2-(1-methylpyrrolidin-2-yl)ethyl]-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-ol
| Molecular Formula | C22H27NO |
|---|---|
| Molecular Weight | 321.21 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.20926 |
| Heavy Atoms | 24 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 6739-81-7 |
|---|---|
| SMILES | CN1CCCC1CCC2(C3=CC=CC=C3CCC4=CC=CC=C42)O |
| InChIKey | ARYYLQUGRJYAHD-UHFFFAOYSA-N |
Product Overview
CID 54098 (CAS 6739-81-7), with molecular formula C22H27NO and molecular weight 321.21 g/mol. IUPAC: 2-[2-(1-methylpyrrolidin-2-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol.
Chemical Property Profile of CID 54098
Property Insights of CID 54098
The XLogP value of 4.2 indicates that CID 54098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, CID 54098 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 54098 has 1 hydrogen bond donor(s) and 2 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 CID 54098?
The CAS number of CID 54098 is 6739-81-7.
What is the molecular formula of CID 54098?
The molecular formula of CID 54098 is C22H27NO.
What is the molecular weight of CID 54098?
The molecular weight of CID 54098 is 321.21 g/mol.
Where can I buy CID 54098?
You can request a quote for CID 54098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 54098?
Yes, KEHONG BIO provides custom synthesis services for CID 54098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.