Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride
TL;DR: Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride (CAS 4752-01-6) is a chemical compound with molecular formula C11H16ClN5O2 and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoate;hydrochloride
Also Known As: ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride, Ethyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoate Hydrochloride
| Molecular Formula | C11H16ClN5O2 |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 0.5047 |
| Topological Polar Surface Area | 129.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.09924 |
| Heavy Atoms | 19 |
| Complexity | 480.36383 |
Chemical Identifiers
| CAS Number | 4752-01-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C(N)N=C(N)N.Cl |
Product Overview
Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride (CAS 4752-01-6), with molecular formula C11H16ClN5O2 and molecular weight 285.10 g/mol. IUPAC: ethyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoate;hydrochloride.
Chemical Property Profile of Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride
Property Insights of Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride
The XLogP value of 0.5047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride. The TPSA of 129.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride. Following Lipinski's Rule of Five, Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride has 3 hydrogen bond donor(s) and 3 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 Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride?
The CAS number of Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride is 4752-01-6.
What is the molecular formula of Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride?
The molecular formula of Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride is C11H16ClN5O2.
What is the molecular weight of Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride?
The molecular weight of Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride is 285.10 g/mol.
Where can I buy Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride?
You can request a quote for Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-carbamimidoylguanidino)benzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.