Dehydro-ZINC39395747
TL;DR: Dehydro-ZINC39395747 (CAS 433248-87-4) is a chemical compound with molecular formula C12H9N3O2S2 and molecular weight 291.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: Dehydro-ZINC39395747, pyrimidin-4-one, ChemDiv3_003731, EX-A9468, IDI1_021641
| Molecular Formula | C12H9N3O2S2 |
|---|---|
| Molecular Weight | 291.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.0136 |
| Heavy Atoms | 19 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 433248-87-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC3=CC(=O)NC(=S)N3 |
| InChIKey | ZBZUSIRGXUAECB-UHFFFAOYSA-N |
Product Overview
Dehydro-ZINC39395747 (CAS 433248-87-4), with molecular formula C12H9N3O2S2 and molecular weight 291.01 g/mol. IUPAC: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of Dehydro-ZINC39395747
Property Insights of Dehydro-ZINC39395747
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydro-ZINC39395747. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydro-ZINC39395747. Following Lipinski's Rule of Five, Dehydro-ZINC39395747 has 2 hydrogen bond donor(s) and 5 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 Dehydro-ZINC39395747?
The CAS number of Dehydro-ZINC39395747 is 433248-87-4.
What is the molecular formula of Dehydro-ZINC39395747?
The molecular formula of Dehydro-ZINC39395747 is C12H9N3O2S2.
What is the molecular weight of Dehydro-ZINC39395747?
The molecular weight of Dehydro-ZINC39395747 is 291.01 g/mol.
Where can I buy Dehydro-ZINC39395747?
You can request a quote for Dehydro-ZINC39395747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydro-ZINC39395747?
Yes, KEHONG BIO provides custom synthesis services for Dehydro-ZINC39395747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.