1-Methylspermidine
TL;DR: 1-Methylspermidine (CAS 150333-68-9) is a chemical compound with molecular formula CC(CCNCCCCN)N and molecular weight 159.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-(4-aminobutyl)butane-1,3-diamine
Also Known As: 1-Methylspermidine, alpha-MeSPD, alpha-methylspermidine, 1-N-(4-aminobutyl)butane-1,3-diamine, 1,8-diamino-5-azanonane
| Molecular Formula | CC(CCNCCCCN)N |
|---|---|
| Molecular Weight | 159.17 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 159.17355 |
| Heavy Atoms | 11 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 150333-68-9 |
|---|---|
| SMILES | CC(CCNCCCCN)N |
| InChIKey | PZSFTBARUSGJTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylspermidine (CAS 150333-68-9), with molecular formula CC(CCNCCCCN)N and molecular weight 159.17 g/mol. IUPAC: 1-N-(4-aminobutyl)butane-1,3-diamine.
Chemical Property Profile of 1-Methylspermidine
Property Insights of 1-Methylspermidine
The XLogP value of -0.6 indicates that 1-Methylspermidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylspermidine. Following Lipinski's Rule of Five, 1-Methylspermidine has 3 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 1-Methylspermidine?
The CAS number of 1-Methylspermidine is 150333-68-9.
What is the molecular formula of 1-Methylspermidine?
The molecular formula of 1-Methylspermidine is CC(CCNCCCCN)N.
What is the molecular weight of 1-Methylspermidine?
The molecular weight of 1-Methylspermidine is 159.17 g/mol.
Where can I buy 1-Methylspermidine?
You can request a quote for 1-Methylspermidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylspermidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylspermidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.