AB00671237-01
TL;DR: AB00671237-01 (CAS 847192-16-9) is a chemical compound with molecular formula C20H18N4O2S2 and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[(3-methylphenyl)methylsulfanyl]-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00671237-01, F0654-1513, 1,3-dimethyl-5-((3-methylbenzyl)thio)-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-[(3-methylphenyl)methylsulfanyl]-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione, 1,3-dimethyl-5-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C20H18N4O2S2 |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 3.35642 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.08713 |
| Heavy Atoms | 28 |
| Complexity | 1290.2926 |
Chemical Identifiers
| CAS Number | 847192-16-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CS4 |
Product Overview
AB00671237-01 (CAS 847192-16-9), with molecular formula C20H18N4O2S2 and molecular weight 410.09 g/mol. IUPAC: 1,3-dimethyl-5-[(3-methylphenyl)methylsulfanyl]-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00671237-01
Property Insights of AB00671237-01
The XLogP value of 3.35642 indicates that AB00671237-01 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 AB00671237-01. Following Lipinski's Rule of Five, AB00671237-01 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 AB00671237-01?
The CAS number of AB00671237-01 is 847192-16-9.
What is the molecular formula of AB00671237-01?
The molecular formula of AB00671237-01 is C20H18N4O2S2.
What is the molecular weight of AB00671237-01?
The molecular weight of AB00671237-01 is 410.09 g/mol.
Where can I buy AB00671237-01?
You can request a quote for AB00671237-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00671237-01?
Yes, KEHONG BIO provides custom synthesis services for AB00671237-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.