Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1)
TL;DR: Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1) (CAS 89022-10-6) is a chemical compound with molecular formula C17H15ClN4O2 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 4-(diaminomethylideneamino)benzoate;hydrochloride
Also Known As: NIOSH/DH1426000, p-Guanidinobenzoic acid 8-quinolyl ester hydrochloride, 8'-Quinolyl 4-guanidinobenzoate hydrochloride, Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1), diaminomethylidene-(4-quinolin-8-yloxycarbonylphenyl)azanium chloride
| Molecular Formula | C17H15ClN4O2 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 2.7807 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.08835 |
| Heavy Atoms | 24 |
| Complexity | 885.24097 |
Chemical Identifiers
| CAS Number | 89022-10-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OC(=O)C3=CC=C(C=C3)N=C(N)N)N=CC=C2.Cl |
Product Overview
Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1) (CAS 89022-10-6), with molecular formula C17H15ClN4O2 and molecular weight 342.09 g/mol. IUPAC: quinolin-8-yl 4-(diaminomethylideneamino)benzoate;hydrochloride.
Chemical Property Profile of Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1)
Property Insights of Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1)
The XLogP value of 2.7807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1). The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1) has 2 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 Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1)?
The CAS number of Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1) is 89022-10-6.
What is the molecular formula of Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1)?
The molecular formula of Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1) is C17H15ClN4O2.
What is the molecular weight of Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1)?
The molecular weight of Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1) is 342.09 g/mol.
Where can I buy Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1)?
You can request a quote for Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 4-carbamimidamidobenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.