3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione
TL;DR: 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione (CAS 173276-54-5) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazine-2-thione
Also Known As: BAS 00093059, 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione, F0320-0129, 3,6-bis(4-methoxyphenyl)-1H,4H-1,3,5-triazine-2-thione, 1,4-bis(4-methoxyphenyl)-1,6-dihydro-1,3,5-triazine-2-thiol
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 173276-54-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NCN(C(=S)N2)C3=CC=C(C=C3)OC |
| InChIKey | RLRFXJDCQJXZQP-UHFFFAOYSA-N |
Product Overview
3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione (CAS 173276-54-5), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: 3,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazine-2-thione.
Chemical Property Profile of 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione
Property Insights of 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione. Following Lipinski's Rule of Five, 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione 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 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione?
The CAS number of 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione is 173276-54-5.
What is the molecular formula of 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione?
The molecular formula of 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione is C17H17N3O2S.
What is the molecular weight of 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione?
The molecular weight of 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione is 327.10 g/mol.
Where can I buy 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione?
You can request a quote for 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3,6-bis(4-methoxyphenyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.