![1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride structure](/static/products/7825/78254-50-9.webp)
1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride
TL;DR: 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride (CAS 78254-50-9) is a chemical compound with molecular formula C9H12ClNO3 and molecular weight 217.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxycarbonylphenyl)methoxyazanium chloride
Also Known As: (4-methoxycarbonylphenyl)methoxyazanium Chloride, 1-[(ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride
| Molecular Formula | C9H12ClNO3 |
|---|---|
| Molecular Weight | 217.05 g/mol |
| LogP | -2.8493 |
| Topological Polar Surface Area | 63.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.05057 |
| Heavy Atoms | 14 |
| Complexity | 286.61346 |
Chemical Identifiers
| CAS Number | 78254-50-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CO[NH3+].[Cl-] |
Product Overview
1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride (CAS 78254-50-9), with molecular formula C9H12ClNO3 and molecular weight 217.05 g/mol. IUPAC: (4-methoxycarbonylphenyl)methoxyazanium chloride.
Chemical Property Profile of 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride
Property Insights of 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride
The XLogP value of -2.8493 indicates that 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride. Following Lipinski's Rule of Five, 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride has 1 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 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride?
The CAS number of 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride is 78254-50-9.
What is the molecular formula of 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride?
The molecular formula of 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride is C9H12ClNO3.
What is the molecular weight of 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride?
The molecular weight of 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride is 217.05 g/mol.
Where can I buy 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride?
You can request a quote for 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Ammoniooxy)methyl]-4-(methoxycarbonyl)benzene chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.