ChemDiv3_004094
TL;DR: ChemDiv3_004094 (CAS 443735-26-0) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: ChemDiv3_004094, IDI1_022004, BRD-K74268962-001-01-3, 5-((1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 1.35004 |
| Topological Polar Surface Area | 54.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 679.66876 |
Chemical Identifiers
| CAS Number | 443735-26-0 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C=C2C(=O)N(C(=S)N(C2=O)C)C |
Product Overview
ChemDiv3_004094 (CAS 443735-26-0), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: 5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of ChemDiv3_004094
Property Insights of ChemDiv3_004094
The XLogP value of 1.35004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004094. With a topological polar surface area (TPSA) of 54.78 Ų, ChemDiv3_004094 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004094 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_004094?
The CAS number of ChemDiv3_004094 is 443735-26-0.
What is the molecular formula of ChemDiv3_004094?
The molecular formula of ChemDiv3_004094 is C16H21N3O3S.
What is the molecular weight of ChemDiv3_004094?
The molecular weight of ChemDiv3_004094 is 335.13 g/mol.
Where can I buy ChemDiv3_004094?
You can request a quote for ChemDiv3_004094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004094?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.