3D-099
TL;DR: 3D-099 (CAS 338403-86-4) is a chemical compound with molecular formula C19H15Cl2N5OS and molecular weight 431.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Also Known As: 3D-099, 2-[(2,6-dichlorobenzyl)sulfanyl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, 2-[(2,6-dichlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
| Molecular Formula | C19H15Cl2N5OS |
|---|---|
| Molecular Weight | 431.04 g/mol |
| LogP | 4.9812 |
| Topological Polar Surface Area | 78.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.03745 |
| Heavy Atoms | 28 |
| Complexity | 1126.9855 |
Chemical Identifiers
| CAS Number | 338403-86-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(N3C(=NC(=N3)SCC4=C(C=CC=C4Cl)Cl)N=C2)N |
Product Overview
3D-099 (CAS 338403-86-4), with molecular formula C19H15Cl2N5OS and molecular weight 431.04 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
Chemical Property Profile of 3D-099
Property Insights of 3D-099
The XLogP value of 4.9812 indicates that 3D-099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3D-099. Following Lipinski's Rule of Five, 3D-099 has 1 hydrogen bond donor(s) and 6 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-099?
The CAS number of 3D-099 is 338403-86-4.
What is the molecular formula of 3D-099?
The molecular formula of 3D-099 is C19H15Cl2N5OS.
What is the molecular weight of 3D-099?
The molecular weight of 3D-099 is 431.04 g/mol.
Where can I buy 3D-099?
You can request a quote for 3D-099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3D-099?
Yes, KEHONG BIO provides custom synthesis services for 3D-099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.