RefChem:1070055
TL;DR: RefChem:1070055 (CAS 105600-96-2) is a chemical compound with molecular formula C18H27ClN4O3 and molecular weight 382.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]amino]benzoate;hydrochloride
Also Known As: Benzoic acid, 2-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)amino)-, ethyl ester, monohydrochloride, trans-, Ethyl 2-[[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]amino]benzoate Hydrochloride, N-(o-ethoxycarbonylphenyl)-trans-4-guanidinomethylcyclohexanecarboxamide hydrochloride, 4-(Carbamimidamidomethyl)-N-(2-(ethoxycarbonyl)phenyl)cyclohexane-1-carboximidic acid--hydrogen chloride (1/1), 4-(Carbamimidamidomethyl)-N-[2-(ethoxycarbonyl)phenyl]cyclohexane-1-carboximidic acid--hydrogen chloride (1/1)
| Molecular Formula | C18H27ClN4O3 |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 2.3034 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.17715 |
| Heavy Atoms | 26 |
| Complexity | 639.0783 |
Chemical Identifiers
| CAS Number | 105600-96-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2CCC(CC2)CN=C(N)N.Cl |
Product Overview
RefChem:1070055 (CAS 105600-96-2), with molecular formula C18H27ClN4O3 and molecular weight 382.18 g/mol. IUPAC: ethyl 2-[[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]amino]benzoate;hydrochloride.
Chemical Property Profile of RefChem:1070055
Property Insights of RefChem:1070055
The XLogP value of 2.3034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1070055. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1070055. Following Lipinski's Rule of Five, RefChem:1070055 has 3 hydrogen bond donor(s) and 4 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 RefChem:1070055?
The CAS number of RefChem:1070055 is 105600-96-2.
What is the molecular formula of RefChem:1070055?
The molecular formula of RefChem:1070055 is C18H27ClN4O3.
What is the molecular weight of RefChem:1070055?
The molecular weight of RefChem:1070055 is 382.18 g/mol.
Where can I buy RefChem:1070055?
You can request a quote for RefChem:1070055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1070055?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1070055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.