3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1)
TL;DR: 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1) (CAS 19623-22-4) is a chemical compound with molecular formula C11H16ClN3O3 and molecular weight 273.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diaminomethylidene-[3-(4-hydroxybenzoyl)oxypropyl]azanium chloride
Also Known As: 3-(p-Hydroxy-benzoyloxy)propylguanidine hydrochloride, p-Hydroxybenzoic acid ester with (3-hydroxypropyl)guanidine hydrochloride, diaminomethylidene-[3-(4-hydroxybenzoyl)oxypropyl]azanium chloride, Benzoic acid, p-hydroxy-, ester with (3-hydroxypropyl)guanidine, monohydrochloride, 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1)
| Molecular Formula | C11H16ClN3O3 |
|---|---|
| Molecular Weight | 273.09 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.088 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 19623-22-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCCC[NH+]=C(N)N)O.[Cl-] |
| InChIKey | LMMNTUSVWNNKES-UHFFFAOYSA-N |
Product Overview
3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1) (CAS 19623-22-4), with molecular formula C11H16ClN3O3 and molecular weight 273.09 g/mol. IUPAC: diaminomethylidene-[3-(4-hydroxybenzoyl)oxypropyl]azanium chloride.
Chemical Property Profile of 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1)
Property Insights of 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1)
The XLogP value of -4.7 indicates that 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1) has 4 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 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1)?
The CAS number of 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1) is 19623-22-4.
What is the molecular formula of 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1) is C11H16ClN3O3.
What is the molecular weight of 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1) is 273.09 g/mol.
Where can I buy 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 3-Carbamimidamidopropyl 4-hydroxybenzoate--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 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbamimidamidopropyl 4-hydroxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.