1-(4-Butoxy-3-chlorobenzyl)guanidine
TL;DR: 1-(4-Butoxy-3-chlorobenzyl)guanidine (CAS 49872-12-0) is a chemical compound with molecular formula C12H18ClN3O and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-butoxy-3-chlorophenyl)methyl]guanidine
Also Known As: 1-(4-Butoxy-3-chlorobenzyl)guanidine, N-(4-Butoxy-3-chlorobenzyl)guanidine, N-(4-Butoxy-3-chloro-benzyl)-guanidine, N-(4-Butoxy-3-chlorobenzyl)guanidine #, 2-[(4-butoxy-3-chlorophenyl)methyl]guanidine
| Molecular Formula | C12H18ClN3O |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.11385 |
| Heavy Atoms | 17 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 49872-12-0 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)CN=C(N)N)Cl |
| InChIKey | NPRFQPBCXGRCCG-UHFFFAOYSA-N |
Product Overview
1-(4-Butoxy-3-chlorobenzyl)guanidine (CAS 49872-12-0), with molecular formula C12H18ClN3O and molecular weight 255.11 g/mol. IUPAC: 2-[(4-butoxy-3-chlorophenyl)methyl]guanidine.
Chemical Property Profile of 1-(4-Butoxy-3-chlorobenzyl)guanidine
Property Insights of 1-(4-Butoxy-3-chlorobenzyl)guanidine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Butoxy-3-chlorobenzyl)guanidine. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Butoxy-3-chlorobenzyl)guanidine. Following Lipinski's Rule of Five, 1-(4-Butoxy-3-chlorobenzyl)guanidine has 2 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-(4-Butoxy-3-chlorobenzyl)guanidine?
The CAS number of 1-(4-Butoxy-3-chlorobenzyl)guanidine is 49872-12-0.
What is the molecular formula of 1-(4-Butoxy-3-chlorobenzyl)guanidine?
The molecular formula of 1-(4-Butoxy-3-chlorobenzyl)guanidine is C12H18ClN3O.
What is the molecular weight of 1-(4-Butoxy-3-chlorobenzyl)guanidine?
The molecular weight of 1-(4-Butoxy-3-chlorobenzyl)guanidine is 255.11 g/mol.
Where can I buy 1-(4-Butoxy-3-chlorobenzyl)guanidine?
You can request a quote for 1-(4-Butoxy-3-chlorobenzyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Butoxy-3-chlorobenzyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Butoxy-3-chlorobenzyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.