6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione
TL;DR: 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione (CAS 201224-89-7) is a chemical compound with molecular formula C23H19N3O2S and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzhydryl-6-benzylsulfanyl-2H-1,2,4-triazine-3,5-dione
Also Known As: 6-(benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione, 4-benzhydryl-6-benzylsulfanyl-2H-1,2,4-triazine-3,5-dione
| Molecular Formula | C23H19N3O2S |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1198 |
| Heavy Atoms | 29 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 201224-89-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NNC(=O)N(C2=O)C(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | KJZDQMLFRPLDSO-UHFFFAOYSA-N |
Product Overview
6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione (CAS 201224-89-7), with molecular formula C23H19N3O2S and molecular weight 401.12 g/mol. IUPAC: 4-benzhydryl-6-benzylsulfanyl-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione
Property Insights of 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione
The XLogP value of 4.9 indicates that 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione. Following Lipinski's Rule of Five, 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione has 1 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 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione?
The CAS number of 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione is 201224-89-7.
What is the molecular formula of 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione?
The molecular formula of 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione is C23H19N3O2S.
What is the molecular weight of 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione?
The molecular weight of 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione is 401.12 g/mol.
Where can I buy 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione?
You can request a quote for 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzylsulfanyl)-4-(diphenylmethyl)-1,2,4-triazine-3,5(2h,4h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.