RefChem:272726
TL;DR: RefChem:272726 (CAS 63990-40-9) is a chemical compound with molecular formula C21H30N2O2 and molecular weight 342.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 1-phenylcyclopentane-1-carboxylate
Also Known As: l-cysteine, compd. with pentanedial(1:4), 8-Methyl-3-(2'-(1''-phenylcyclopentanecarboxylato)ethyl)-3,8-diazabicyclo(3.2.1)octane, 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(2'-(1''-phenylcyclopentanecarboxylato)ethyl)-, 2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 1-phenylcyclopentane-1-carboxylate, 2-(8-methyl-3,8-diazabicyclo[3.2.1]oct-3-yl)ethyl 1-phenylcyclopentanecarboxylate
| Molecular Formula | C21H30N2O2 |
|---|---|
| Molecular Weight | 342.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.23074 |
| Heavy Atoms | 25 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 63990-40-9 |
|---|---|
| SMILES | CN1C2CCC1CN(C2)CCOC(=O)C3(CCCC3)C4=CC=CC=C4 |
| InChIKey | YBTSMQLFDICCCT-UHFFFAOYSA-N |
Product Overview
RefChem:272726 (CAS 63990-40-9), with molecular formula C21H30N2O2 and molecular weight 342.23 g/mol. IUPAC: 2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 1-phenylcyclopentane-1-carboxylate.
Chemical Property Profile of RefChem:272726
Property Insights of RefChem:272726
The XLogP value of 3.6 indicates that RefChem:272726 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:272726 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272726 has 0 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:272726?
The CAS number of RefChem:272726 is 63990-40-9.
What is the molecular formula of RefChem:272726?
The molecular formula of RefChem:272726 is C21H30N2O2.
What is the molecular weight of RefChem:272726?
The molecular weight of RefChem:272726 is 342.23 g/mol.
Where can I buy RefChem:272726?
You can request a quote for RefChem:272726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272726?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.