5-25-04-00241 (Beilstein Handbook Reference)
TL;DR: 5-25-04-00241 (Beilstein Handbook Reference) (CAS 68322-31-6) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-methyl-2-(1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxylate
Also Known As: 5-25-04-00241 (Beilstein Handbook Reference), (exo,exo)-8-Methyl-2-(1H-pyrrol-2-yl)-8-azabicyclo(3.2.1)octane-3-carboxylic acid methyl ester, 8-Azabicyclo(3.2.1)octane-3-carboxylic acid, 8-methyl-2-(1H-pyrrol-2-yl)-, methyl ester, (exo,exo)-, methyl 8-methyl-2-(1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxylate, methyl 8-methyl-4-(1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxylate
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 1.754 |
| Topological Polar Surface Area | 45.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 429.0122 |
Chemical Identifiers
| CAS Number | 68322-31-6 |
|---|---|
| SMILES | CN1C2CCC1C(C(C2)C(=O)OC)C3=CC=CN3 |
Product Overview
5-25-04-00241 (Beilstein Handbook Reference) (CAS 68322-31-6), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: methyl 8-methyl-2-(1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxylate.
Chemical Property Profile of 5-25-04-00241 (Beilstein Handbook Reference)
Property Insights of 5-25-04-00241 (Beilstein Handbook Reference)
The XLogP value of 1.754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-25-04-00241 (Beilstein Handbook Reference). With a topological polar surface area (TPSA) of 45.33 Ų, 5-25-04-00241 (Beilstein Handbook Reference) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-25-04-00241 (Beilstein Handbook Reference) has 1 hydrogen bond donor(s) and 3 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 5-25-04-00241 (Beilstein Handbook Reference)?
The CAS number of 5-25-04-00241 (Beilstein Handbook Reference) is 68322-31-6.
What is the molecular formula of 5-25-04-00241 (Beilstein Handbook Reference)?
The molecular formula of 5-25-04-00241 (Beilstein Handbook Reference) is C14H20N2O2.
What is the molecular weight of 5-25-04-00241 (Beilstein Handbook Reference)?
The molecular weight of 5-25-04-00241 (Beilstein Handbook Reference) is 248.15 g/mol.
Where can I buy 5-25-04-00241 (Beilstein Handbook Reference)?
You can request a quote for 5-25-04-00241 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-04-00241 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-04-00241 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.