A3351/0142198
TL;DR: A3351/0142198 (CAS 689748-55-8) is a chemical compound with molecular formula C19H18N8O3S and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(2,5-dimethoxyphenyl)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
Also Known As: A3351/0142198, N-(2,5-dimethoxyphenyl)-6-({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}methyl)-1,3,5-triazine-2,4-diamine, (6E)-6-[(2,5-dimethoxyphenyl)imino]-4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,6-dihydro-1,3,5-triazin-2-amine, 2-N-(2,5-dimethoxyphenyl)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine, N-(2,5-dimethoxyphenyl)-6-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,3,5-triazine-2,4-diamine
| Molecular Formula | C19H18N8O3S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 2.9519 |
| Topological Polar Surface Area | 146.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.12225 |
| Heavy Atoms | 31 |
| Complexity | 1172.044 |
Chemical Identifiers
| CAS Number | 689748-55-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=N2)N)CSC3=NN=C(O3)C4=CC=NC=C4 |
Product Overview
A3351/0142198 (CAS 689748-55-8), with molecular formula C19H18N8O3S and molecular weight 438.12 g/mol. IUPAC: 2-N-(2,5-dimethoxyphenyl)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of A3351/0142198
Property Insights of A3351/0142198
The XLogP value of 2.9519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3351/0142198. The TPSA of 146.99 Ų indicates high polarity, suggesting A3351/0142198 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3351/0142198 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3351/0142198?
The CAS number of A3351/0142198 is 689748-55-8.
What is the molecular formula of A3351/0142198?
The molecular formula of A3351/0142198 is C19H18N8O3S.
What is the molecular weight of A3351/0142198?
The molecular weight of A3351/0142198 is 438.12 g/mol.
Where can I buy A3351/0142198?
You can request a quote for A3351/0142198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3351/0142198?
Yes, KEHONG BIO provides custom synthesis services for A3351/0142198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.