3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
TL;DR: 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) (CAS 75231-21-9) is a chemical compound with molecular formula C14H22ClN3O5 and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
carbamimidoyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride
Also Known As: 3,4,5-Trimethoxybenzoic acid 3-guanidinopropyl ester monohydrochloride, carbamimidoyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 3-GUANIDINOPROPYL ESTER, MONOHYDROCHLORIDE, 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1), RefChem:1067524
| Molecular Formula | C14H22ClN3O5 |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | -3.28 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 347.1248 |
| Heavy Atoms | 23 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 75231-21-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCC[NH2+]C(=N)N.[Cl-] |
| InChIKey | QFRJAOLHYPXSEX-UHFFFAOYSA-N |
Product Overview
3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) (CAS 75231-21-9), with molecular formula C14H22ClN3O5 and molecular weight 347.12 g/mol. IUPAC: carbamimidoyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride.
Chemical Property Profile of 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Property Insights of 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
The XLogP value of -3.28 indicates that 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) has 3 hydrogen bond donor(s) and 7 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 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
The CAS number of 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is 75231-21-9.
What is the molecular formula of 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is C14H22ClN3O5.
What is the molecular weight of 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is 347.12 g/mol.
Where can I buy 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--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 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.