F1700-0116
TL;DR: F1700-0116 (CAS 622360-36-5) is a chemical compound with molecular formula C20H20BrN3O4 and molecular weight 445.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Also Known As: F1700-0116, allyl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate, prop-2-enyl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate, prop-2-en-1-yl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate, prop-2-en-1-yl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C20H20BrN3O4 |
|---|---|
| Molecular Weight | 445.06 g/mol |
| LogP | 2.4071 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.06372 |
| Heavy Atoms | 28 |
| Complexity | 1109.9963 |
Chemical Identifiers
| CAS Number | 622360-36-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)Br)C(=O)OCC=C |
Product Overview
F1700-0116 (CAS 622360-36-5), with molecular formula C20H20BrN3O4 and molecular weight 445.06 g/mol. IUPAC: prop-2-enyl 5-(4-bromophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of F1700-0116
Property Insights of F1700-0116
The XLogP value of 2.4071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1700-0116. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for F1700-0116. Following Lipinski's Rule of Five, F1700-0116 has 1 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 F1700-0116?
The CAS number of F1700-0116 is 622360-36-5.
What is the molecular formula of F1700-0116?
The molecular formula of F1700-0116 is C20H20BrN3O4.
What is the molecular weight of F1700-0116?
The molecular weight of F1700-0116 is 445.06 g/mol.
Where can I buy F1700-0116?
You can request a quote for F1700-0116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1700-0116?
Yes, KEHONG BIO provides custom synthesis services for F1700-0116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.