![4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene structure](/static/products/4987/49872-77-7.webp)
4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene
TL;DR: 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene (CAS 49872-77-7) is a chemical compound with molecular formula C9H12ClN5 and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-methylphenyl)-1-(diaminomethylidene)guanidine
Also Known As: Maybridge1_007006, 3-Chloro-4-Methyl-Phenyl biguanide, N1-(3-Chloro-4-methylphenyl)biguanide, N-(3-chloro-4-methylphenyl)imidodicarbonimidic diamide, 4-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene
| Molecular Formula | C9H12ClN5 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 0.86802 |
| Topological Polar Surface Area | 102.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.07812 |
| Heavy Atoms | 15 |
| Complexity | 420.51093 |
Chemical Identifiers
| CAS Number | 49872-77-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C(N)N=C(N)N)Cl |
Product Overview
4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene (CAS 49872-77-7), with molecular formula C9H12ClN5 and molecular weight 225.08 g/mol. IUPAC: 2-(3-chloro-4-methylphenyl)-1-(diaminomethylidene)guanidine.
Chemical Property Profile of 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene
Property Insights of 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene
The XLogP value of 0.86802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene. The TPSA of 102.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene. Following Lipinski's Rule of Five, 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene has 3 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 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene?
The CAS number of 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene is 49872-77-7.
What is the molecular formula of 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene?
The molecular formula of 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene is C9H12ClN5.
What is the molecular weight of 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene?
The molecular weight of 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene is 225.08 g/mol.
Where can I buy 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene?
You can request a quote for 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.