F1873-0427
TL;DR: F1873-0427 (CAS 872612-40-3) is a chemical compound with molecular formula C14H17N5O2S and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetonitrile
Also Known As: F1873-0427, 2-((2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetonitrile, 2-(7-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetonitrile, 2-({2-butyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetonitrile
| Molecular Formula | C14H17N5O2S |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 0.98548 |
| Topological Polar Surface Area | 93.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1103 |
| Heavy Atoms | 22 |
| Complexity | 862.62317 |
Chemical Identifiers
| CAS Number | 872612-40-3 |
|---|---|
| SMILES | CCCCC1=NC2=C(C(=N1)SCC#N)C(=O)N(C(=O)N2C)C |
Product Overview
F1873-0427 (CAS 872612-40-3), with molecular formula C14H17N5O2S and molecular weight 319.11 g/mol. IUPAC: 2-(7-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetonitrile.
Chemical Property Profile of F1873-0427
Property Insights of F1873-0427
The XLogP value of 0.98548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1873-0427. The TPSA of 93.57 Ų falls within the moderate polarity range, balancing permeability and solubility for F1873-0427. Following Lipinski's Rule of Five, F1873-0427 has 0 hydrogen bond donor(s) and 6 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 F1873-0427?
The CAS number of F1873-0427 is 872612-40-3.
What is the molecular formula of F1873-0427?
The molecular formula of F1873-0427 is C14H17N5O2S.
What is the molecular weight of F1873-0427?
The molecular weight of F1873-0427 is 319.11 g/mol.
Where can I buy F1873-0427?
You can request a quote for F1873-0427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1873-0427?
Yes, KEHONG BIO provides custom synthesis services for F1873-0427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.