![n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1) structure](/static/products/2697/26979-27-1.webp)
n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1)
TL;DR: n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1) (CAS 26979-27-1) is a chemical compound with molecular formula C25H29N3O6S and molecular weight 499.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]acetamide;4-methylbenzenesulfonic acid
Also Known As: n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1), N-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]acetamide; 4-methylbenzenesulfonic acid, N-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]acetamide;4-methylbenzenesulfonic acid, N-{3-[3-(3-Carbamimidoylphenoxy)propoxy]phenyl}ethanimidic acid--4-methylbenzene-1-sulfonic acid (1/1)
| Molecular Formula | C25H29N3O6S |
|---|---|
| Molecular Weight | 499.18 g/mol |
| LogP | 4.01869 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.1777 |
| Heavy Atoms | 35 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 26979-27-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC1=CC(=CC=C1)OCCCOC2=CC=CC(=C2)C(=N)N |
| InChIKey | IGCBJGWUIULEKS-UHFFFAOYSA-N |
Product Overview
n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1) (CAS 26979-27-1), with molecular formula C25H29N3O6S and molecular weight 499.18 g/mol. IUPAC: N-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]acetamide;4-methylbenzenesulfonic acid.
Chemical Property Profile of n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1)
Property Insights of n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1)
The XLogP value of 4.01869 indicates that n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1) has 4 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 n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1)?
The CAS number of n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1) is 26979-27-1.
What is the molecular formula of n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1)?
The molecular formula of n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1) is C25H29N3O6S.
What is the molecular weight of n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1)?
The molecular weight of n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1) is 499.18 g/mol.
Where can I buy n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1)?
You can request a quote for n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for n-{3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl}acetamide 4-methylbenzenesulfonate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.