5-26-07-00048 (Beilstein Handbook Reference)
TL;DR: 5-26-07-00048 (Beilstein Handbook Reference) (CAS 70672-49-0) is a chemical compound with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[5-methyl-4-(phenylcarbamoyl)triazol-1-yl]phenyl]acetic acid
Also Known As: 5-26-07-00048 (Beilstein Handbook Reference), Benzeneacetic acid, 4-(5-methyl-4-((phenylamino)carbonyl)-1H-1,2,3-triazol-1-yl)-, 4-(5-Methyl-4-((phenylamino)carbonyl)-1H-1,2,3-triazol-1-yl)benzeneacetic acid, 2-[4-[5-methyl-4-(phenylcarbamoyl)triazol-1-yl]phenyl]acetic acid, {4-[5-Methyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-1-yl]phenyl}acetic acid
| Molecular Formula | C18H16N4O3 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 2.45512 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.12225 |
| Heavy Atoms | 25 |
| Complexity | 901.83044 |
Chemical Identifiers
| CAS Number | 70672-49-0 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=C(C=C2)CC(=O)O)C(=O)NC3=CC=CC=C3 |
Product Overview
5-26-07-00048 (Beilstein Handbook Reference) (CAS 70672-49-0), with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol. IUPAC: 2-[4-[5-methyl-4-(phenylcarbamoyl)triazol-1-yl]phenyl]acetic acid.
Chemical Property Profile of 5-26-07-00048 (Beilstein Handbook Reference)
Property Insights of 5-26-07-00048 (Beilstein Handbook Reference)
The XLogP value of 2.45512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-26-07-00048 (Beilstein Handbook Reference). The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-26-07-00048 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-26-07-00048 (Beilstein Handbook Reference) has 2 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 5-26-07-00048 (Beilstein Handbook Reference)?
The CAS number of 5-26-07-00048 (Beilstein Handbook Reference) is 70672-49-0.
What is the molecular formula of 5-26-07-00048 (Beilstein Handbook Reference)?
The molecular formula of 5-26-07-00048 (Beilstein Handbook Reference) is C18H16N4O3.
What is the molecular weight of 5-26-07-00048 (Beilstein Handbook Reference)?
The molecular weight of 5-26-07-00048 (Beilstein Handbook Reference) is 336.12 g/mol.
Where can I buy 5-26-07-00048 (Beilstein Handbook Reference)?
You can request a quote for 5-26-07-00048 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-26-07-00048 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-26-07-00048 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.