DivK1c_004691
TL;DR: DivK1c_004691 (CAS 6222-05-5) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: DivK1c_004691, CDS1_003651, BAS 02196602, BIM-0011116.P001, 5-((2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 1.40344 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 830.4652 |
Chemical Identifiers
| CAS Number | 6222-05-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=S)NC3=O |
Product Overview
DivK1c_004691 (CAS 6222-05-5), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of DivK1c_004691
Property Insights of DivK1c_004691
The XLogP value of 1.40344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DivK1c_004691. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_004691. Following Lipinski's Rule of Five, DivK1c_004691 has 2 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 DivK1c_004691?
The CAS number of DivK1c_004691 is 6222-05-5.
What is the molecular formula of DivK1c_004691?
The molecular formula of DivK1c_004691 is C16H14N4O2S.
What is the molecular weight of DivK1c_004691?
The molecular weight of DivK1c_004691 is 326.08 g/mol.
Where can I buy DivK1c_004691?
You can request a quote for DivK1c_004691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_004691?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_004691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.