AB00671201-01
TL;DR: AB00671201-01 (CAS 847191-23-5) is a chemical compound with molecular formula C19H16N4O6S and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[7-(furan-2-yl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: AB00671201-01, F0654-1391, methyl 5-(((2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)methyl)furan-2-carboxylate, methyl 5-({[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-[[7-(furan-2-yl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C19H16N4O6S |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 1.9591 |
| Topological Polar Surface Area | 122.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.07904 |
| Heavy Atoms | 30 |
| Complexity | 1366.4268 |
Chemical Identifiers
| CAS Number | 847191-23-5 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CO3)SCC4=CC=C(O4)C(=O)OC)C(=O)N(C1=O)C |
Product Overview
AB00671201-01 (CAS 847191-23-5), with molecular formula C19H16N4O6S and molecular weight 428.08 g/mol. IUPAC: methyl 5-[[7-(furan-2-yl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of AB00671201-01
Property Insights of AB00671201-01
The XLogP value of 1.9591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00671201-01. The TPSA of 122.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00671201-01. Following Lipinski's Rule of Five, AB00671201-01 has 0 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 AB00671201-01?
The CAS number of AB00671201-01 is 847191-23-5.
What is the molecular formula of AB00671201-01?
The molecular formula of AB00671201-01 is C19H16N4O6S.
What is the molecular weight of AB00671201-01?
The molecular weight of AB00671201-01 is 428.08 g/mol.
Where can I buy AB00671201-01?
You can request a quote for AB00671201-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00671201-01?
Yes, KEHONG BIO provides custom synthesis services for AB00671201-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.