3D-075
TL;DR: 3D-075 (CAS 338403-74-0) is a chemical compound with molecular formula C22H23N7O and molecular weight 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Also Known As: 3D-075, 6-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, 6-(4-methoxyphenyl)-2-(4-phenylpiperazino)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
| Molecular Formula | C22H23N7O |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 2.7087 |
| Topological Polar Surface Area | 84.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.1964 |
| Heavy Atoms | 30 |
| Complexity | 1149.5535 |
Chemical Identifiers
| CAS Number | 338403-74-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(N3C(=NC(=N3)N4CCN(CC4)C5=CC=CC=C5)N=C2)N |
Product Overview
3D-075 (CAS 338403-74-0), with molecular formula C22H23N7O and molecular weight 401.20 g/mol. IUPAC: 6-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
Chemical Property Profile of 3D-075
Property Insights of 3D-075
The XLogP value of 2.7087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3D-075. The TPSA of 84.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3D-075. Following Lipinski's Rule of Five, 3D-075 has 1 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 3D-075?
The CAS number of 3D-075 is 338403-74-0.
What is the molecular formula of 3D-075?
The molecular formula of 3D-075 is C22H23N7O.
What is the molecular weight of 3D-075?
The molecular weight of 3D-075 is 401.20 g/mol.
Where can I buy 3D-075?
You can request a quote for 3D-075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3D-075?
Yes, KEHONG BIO provides custom synthesis services for 3D-075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.