F1873-0414
TL;DR: F1873-0414 (CAS 872612-36-7) is a chemical compound with molecular formula C18H21N5O2S and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F1873-0414, 7-butyl-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione, 7-butyl-1,3-dimethyl-5-((pyridin-3-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-butyl-1,3-dimethyl-5-{[(pyridin-3-yl)methyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C18H21N5O2S |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 2.0571 |
| Topological Polar Surface Area | 82.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.1416 |
| Heavy Atoms | 26 |
| Complexity | 1043.3613 |
Chemical Identifiers
| CAS Number | 872612-36-7 |
|---|---|
| SMILES | CCCCC1=NC2=C(C(=N1)SCC3=CN=CC=C3)C(=O)N(C(=O)N2C)C |
Product Overview
F1873-0414 (CAS 872612-36-7), with molecular formula C18H21N5O2S and molecular weight 371.14 g/mol. IUPAC: 7-butyl-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F1873-0414
Property Insights of F1873-0414
The XLogP value of 2.0571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1873-0414. The TPSA of 82.67 Ų falls within the moderate polarity range, balancing permeability and solubility for F1873-0414. Following Lipinski's Rule of Five, F1873-0414 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 F1873-0414?
The CAS number of F1873-0414 is 872612-36-7.
What is the molecular formula of F1873-0414?
The molecular formula of F1873-0414 is C18H21N5O2S.
What is the molecular weight of F1873-0414?
The molecular weight of F1873-0414 is 371.14 g/mol.
Where can I buy F1873-0414?
You can request a quote for F1873-0414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1873-0414?
Yes, KEHONG BIO provides custom synthesis services for F1873-0414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.