AB00671232-01
TL;DR: AB00671232-01 (CAS 847192-09-0) is a chemical compound with molecular formula C19H16N4O2S2 and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-1,3-dimethyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00671232-01, 5-(benzylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, F0654-1504, 5-benzylsulfanyl-1,3-dimethyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-(benzylsulfanyl)-1,3-dimethyl-7-(thiophen-2-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C19H16N4O2S2 |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 3.048 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.07147 |
| Heavy Atoms | 27 |
| Complexity | 1228.7825 |
Chemical Identifiers
| CAS Number | 847192-09-0 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC4=CC=CC=C4)C(=O)N(C1=O)C |
Product Overview
AB00671232-01 (CAS 847192-09-0), with molecular formula C19H16N4O2S2 and molecular weight 396.07 g/mol. IUPAC: 5-benzylsulfanyl-1,3-dimethyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00671232-01
Property Insights of AB00671232-01
The XLogP value of 3.048 indicates that AB00671232-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00671232-01. Following Lipinski's Rule of Five, AB00671232-01 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 AB00671232-01?
The CAS number of AB00671232-01 is 847192-09-0.
What is the molecular formula of AB00671232-01?
The molecular formula of AB00671232-01 is C19H16N4O2S2.
What is the molecular weight of AB00671232-01?
The molecular weight of AB00671232-01 is 396.07 g/mol.
Where can I buy AB00671232-01?
You can request a quote for AB00671232-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00671232-01?
Yes, KEHONG BIO provides custom synthesis services for AB00671232-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.