![2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine structure](/static/products/5647/5647-99-4.webp)
2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine
TL;DR: 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine (CAS 5647-99-4) is a chemical compound with molecular formula C14H22ClN5O and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine
Also Known As: BIM-0048346.P001, 2-[[3-chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine, N-[3-chloro-4-(3-methylbutoxy)benzyl]imidodicarbonimidic diamide, N''-(N'-{[3-Chloro-4-(3-methylbutoxy)phenyl]methyl}carbamimidoyl)guanidine
| Molecular Formula | C14H22ClN5O |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 1.853 |
| Topological Polar Surface Area | 112.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15128 |
| Heavy Atoms | 21 |
| Complexity | 524.0957 |
Chemical Identifiers
| CAS Number | 5647-99-4 |
|---|---|
| SMILES | CC(C)CCOC1=C(C=C(C=C1)CN=C(N)N=C(N)N)Cl |
Product Overview
2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine (CAS 5647-99-4), with molecular formula C14H22ClN5O and molecular weight 311.15 g/mol. IUPAC: 2-[[3-chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine.
Chemical Property Profile of 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine
Property Insights of 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine
The XLogP value of 1.853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine. The TPSA of 112.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine. Following Lipinski's Rule of Five, 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine has 3 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 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine?
The CAS number of 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine is 5647-99-4.
What is the molecular formula of 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine?
The molecular formula of 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine is C14H22ClN5O.
What is the molecular weight of 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine?
The molecular weight of 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine is 311.15 g/mol.
Where can I buy 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine?
You can request a quote for 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-Chloro-4-(3-methylbutoxy)phenyl]methyl]-1-(diaminomethylidene)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.