Guanidine, pentabutyl-
TL;DR: Guanidine, pentabutyl- (CAS 13130-79-5) is a chemical compound with molecular formula C21H45N3 and molecular weight 339.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,3,3-pentabutylguanidine
Also Known As: Guanidine, pentabutyl-, pentabutylguanidin, penta-n-butylguanidine, 1,1,2,3,3-pentabutylguanidine, 1,1,3,3,4-Pentabutylguanidine
| Molecular Formula | C21H45N3 |
|---|---|
| Molecular Weight | 339.36 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 17 |
| Exact Mass | 339.36136 |
| Heavy Atoms | 24 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 13130-79-5 |
|---|---|
| SMILES | CCCCN=C(N(CCCC)CCCC)N(CCCC)CCCC |
| InChIKey | AXQUONJGMAVWJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guanidine, pentabutyl- (CAS 13130-79-5), with molecular formula C21H45N3 and molecular weight 339.36 g/mol. IUPAC: 1,1,2,3,3-pentabutylguanidine.
Chemical Property Profile of Guanidine, pentabutyl-
Property Insights of Guanidine, pentabutyl-
The XLogP value of 6.1 indicates that Guanidine, pentabutyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.8 Ų, Guanidine, pentabutyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guanidine, pentabutyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Guanidine, pentabutyl-?
The CAS number of Guanidine, pentabutyl- is 13130-79-5.
What is the molecular formula of Guanidine, pentabutyl-?
The molecular formula of Guanidine, pentabutyl- is C21H45N3.
What is the molecular weight of Guanidine, pentabutyl-?
The molecular weight of Guanidine, pentabutyl- is 339.36 g/mol.
Where can I buy Guanidine, pentabutyl-?
You can request a quote for Guanidine, pentabutyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, pentabutyl-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, pentabutyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.