cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine
TL;DR: cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine (CAS 56160-71-5) is a chemical compound with molecular formula C9H17N and molecular weight 139.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
Also Known As: 3,5-dimethylpyrrolizidine, cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine, 3,5-dimethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
| Molecular Formula | C9H17N |
|---|---|
| Molecular Weight | 139.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.1361 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 56160-71-5 |
|---|---|
| SMILES | CC1CCC2N1C(CC2)C |
| InChIKey | KNLORGMOTMPXIN-UHFFFAOYSA-N |
Product Overview
cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine (CAS 56160-71-5), with molecular formula C9H17N and molecular weight 139.14 g/mol. IUPAC: 3,5-dimethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
Chemical Property Profile of cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine
Property Insights of cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine. With a topological polar surface area (TPSA) of 3.2 Ų, cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine has 0 hydrogen bond donor(s) and 1 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 cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine?
The CAS number of cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine is 56160-71-5.
What is the molecular formula of cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine?
The molecular formula of cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine is C9H17N.
What is the molecular weight of cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine?
The molecular weight of cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine is 139.14 g/mol.
Where can I buy cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine?
You can request a quote for cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine?
Yes, KEHONG BIO provides custom synthesis services for cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.