2-Cyanodiphenylmethan
TL;DR: 2-Cyanodiphenylmethan (CAS 56153-74-3) is a chemical compound with molecular formula C10H13N5O4S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,6-diaminopyrimidin-4-yl)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2-thione
Also Known As: 2-Cyanodiphenylmethan, 2-(5,6-diaminopyrimidin-4-yl)-6-hydroxy-7-(hydroxymethyl)-4,8-dioxa-2-azabicyclo[3.3.0]octane-3-thione, 3-(5,6-diaminopyrimidin-4-yl)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2-thione, 3-(5,6-Diaminopyrimidin-4-yl)-6-hydroxy-5-(hydroxymethyl)tetrahydrofuro[2,3-d][1,3]oxazole-2(3H)-thione
| Molecular Formula | C10H13N5O4S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.06882 |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 56153-74-3 |
|---|---|
| SMILES | C1=NC(=C(C(=N1)N2C3C(C(C(O3)CO)O)OC2=S)N)N |
| InChIKey | XBUCKHBBTYCMAZ-UHFFFAOYSA-N |
Product Overview
2-Cyanodiphenylmethan (CAS 56153-74-3), with molecular formula C10H13N5O4S and molecular weight 299.07 g/mol. IUPAC: 3-(5,6-diaminopyrimidin-4-yl)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2-thione.
Chemical Property Profile of 2-Cyanodiphenylmethan
Property Insights of 2-Cyanodiphenylmethan
The XLogP value of -1.2 indicates that 2-Cyanodiphenylmethan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting 2-Cyanodiphenylmethan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Cyanodiphenylmethan has 4 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 2-Cyanodiphenylmethan?
The CAS number of 2-Cyanodiphenylmethan is 56153-74-3.
What is the molecular formula of 2-Cyanodiphenylmethan?
The molecular formula of 2-Cyanodiphenylmethan is C10H13N5O4S.
What is the molecular weight of 2-Cyanodiphenylmethan?
The molecular weight of 2-Cyanodiphenylmethan is 299.07 g/mol.
Where can I buy 2-Cyanodiphenylmethan?
You can request a quote for 2-Cyanodiphenylmethan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanodiphenylmethan?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanodiphenylmethan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.