ChemDiv3_000555
TL;DR: ChemDiv3_000555 (CAS 312748-68-8) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(diethylamino)phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: ChemDiv3_000555, 5-(4-(diethylamino)benzylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[4-(diethylamino)benzylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[4-(diethylamino)phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-{[4-(DIETHYLAMINO)PHENYL]METHYLIDENE}-1,3-DIMETHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 312748-68-8 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C |
| InChIKey | RBJJHQQXGDUIMI-UHFFFAOYSA-N |
Product Overview
ChemDiv3_000555 (CAS 312748-68-8), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: 5-[[4-(diethylamino)phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of ChemDiv3_000555
Property Insights of ChemDiv3_000555
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_000555. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_000555. Following Lipinski's Rule of Five, ChemDiv3_000555 has 0 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 ChemDiv3_000555?
The CAS number of ChemDiv3_000555 is 312748-68-8.
What is the molecular formula of ChemDiv3_000555?
The molecular formula of ChemDiv3_000555 is C17H21N3O2S.
What is the molecular weight of ChemDiv3_000555?
The molecular weight of ChemDiv3_000555 is 331.14 g/mol.
Where can I buy ChemDiv3_000555?
You can request a quote for ChemDiv3_000555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000555?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.