1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline
TL;DR: 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline (CAS 131847-40-0) is a chemical compound with molecular formula C14H26N2 and molecular weight 222.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(pyrrolidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
Also Known As: 1-PYRROLIDIN-1-YLMETHYL-DECAHYDRO-ISOQUINOLINE, 1-(Pyrrolidin-1-ylmethyl)decahydroisoquinoline, 1-(pyrrolidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline, 1-[(Pyrrolidin-1-yl)methyl]decahydroisoquinoline, Isoquinoline,decahydro-1-(1-pyrrolidinylmethyl)-
| Molecular Formula | C14H26N2 |
|---|---|
| Molecular Weight | 222.21 g/mol |
| LogP | 2.2505 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.2096 |
| Heavy Atoms | 16 |
| Complexity | 220.77524 |
Chemical Identifiers
| CAS Number | 131847-40-0 |
|---|---|
| SMILES | C1CCC2C(C1)CCNC2CN3CCCC3 |
Product Overview
1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline (CAS 131847-40-0), with molecular formula C14H26N2 and molecular weight 222.21 g/mol. IUPAC: 1-(pyrrolidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.
Chemical Property Profile of 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline
Property Insights of 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline
The XLogP value of 2.2505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline. With a topological polar surface area (TPSA) of 15.27 Ų, 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline 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 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline?
The CAS number of 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline is 131847-40-0.
What is the molecular formula of 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline?
The molecular formula of 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline is C14H26N2.
What is the molecular weight of 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline?
The molecular weight of 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline is 222.21 g/mol.
Where can I buy 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline?
You can request a quote for 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrrolidin-1-ylmethyl-decahydro-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.