ChemDiv3_006341
TL;DR: ChemDiv3_006341 (CAS 834900-16-2) is a chemical compound with molecular formula C12H19N7S3 and molecular weight 357.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-3-methyl-1,3,4-thiadiazole-2-thione
Also Known As: ChemDiv3_006341, IDI1_024251, 5-((4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)thio)-3-methyl-1,3,4-thiadiazole-2(3H)-thione, 5-({4,6-BIS[(PROPAN-2-YL)AMINO]-1,3,5-TRIAZIN-2-YL}SULFANYL)-3-METHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE-2-THIONE, 5-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-3-methyl-1,3,4-thiadiazole-2-thione
| Molecular Formula | C12H19N7S3 |
|---|---|
| Molecular Weight | 357.09 g/mol |
| LogP | 3.18789 |
| Topological Polar Surface Area | 80.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.0864 |
| Heavy Atoms | 22 |
| Complexity | 664.0186 |
Chemical Identifiers
| CAS Number | 834900-16-2 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)SC2=NN(C(=S)S2)C)NC(C)C |
Product Overview
ChemDiv3_006341 (CAS 834900-16-2), with molecular formula C12H19N7S3 and molecular weight 357.09 g/mol. IUPAC: 5-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-3-methyl-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of ChemDiv3_006341
Property Insights of ChemDiv3_006341
The XLogP value of 3.18789 indicates that ChemDiv3_006341 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006341. Following Lipinski's Rule of Five, ChemDiv3_006341 has 2 hydrogen bond donor(s) and 9 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 ChemDiv3_006341?
The CAS number of ChemDiv3_006341 is 834900-16-2.
What is the molecular formula of ChemDiv3_006341?
The molecular formula of ChemDiv3_006341 is C12H19N7S3.
What is the molecular weight of ChemDiv3_006341?
The molecular weight of ChemDiv3_006341 is 357.09 g/mol.
Where can I buy ChemDiv3_006341?
You can request a quote for ChemDiv3_006341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006341?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.