![{4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid structure](/static/products/6313/6313-34-4.webp)
{4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid
TL;DR: {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid (CAS 6313-34-4) is a chemical compound with molecular formula C10H13N3O2 and molecular weight 207.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(dimethylaminodiazenyl)phenyl]acetic acid
Also Known As: 1-(4-Acetyphenyl)-3,3-dimethyltriazene, KST-1B6580, {4-[(1e)-3,3-dimethyltriaz-1-en-1-yl]phenyl}acetic acid, 2-[4-(dimethylaminodiazenyl)phenyl]acetic acid, {4-[(1E)-3,3-Dimethyl-1-triazen-1-yl]phenyl}acetic acid
| Molecular Formula | C10H13N3O2 |
|---|---|
| Molecular Weight | 207.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.10077 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 6313-34-4 |
|---|---|
| SMILES | CN(C)N=NC1=CC=C(C=C1)CC(=O)O |
| InChIKey | TVMSFPBRHZUEQE-UHFFFAOYSA-N |
Product Overview
{4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid (CAS 6313-34-4), with molecular formula C10H13N3O2 and molecular weight 207.10 g/mol. IUPAC: 2-[4-(dimethylaminodiazenyl)phenyl]acetic acid.
Chemical Property Profile of {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid
Property Insights of {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid. Following Lipinski's Rule of Five, {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid has 1 hydrogen bond donor(s) and 5 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 {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid?
The CAS number of {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid is 6313-34-4.
What is the molecular formula of {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid?
The molecular formula of {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid is C10H13N3O2.
What is the molecular weight of {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid?
The molecular weight of {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid is 207.10 g/mol.
Where can I buy {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid?
You can request a quote for {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {4-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]phenyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.