AB00686231-01
TL;DR: AB00686231-01 (CAS 866807-97-8) is a chemical compound with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethoxy-2-(3,4,5-trimethoxyphenyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-4-thione
Also Known As: AB00686231-01, F1604-0661, 9-ethoxy-2-(3,4,5-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione, 9-ethoxy-2-(3,4,5-trimethoxyphenyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-4-thione, 9-ethoxy-2-(3,4,5-trimethoxyphenyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione
| Molecular Formula | C22H22N2O5S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 4.92719 |
| Topological Polar Surface Area | 74.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.12494 |
| Heavy Atoms | 30 |
| Complexity | 1133.7454 |
Chemical Identifiers
| CAS Number | 866807-97-8 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1OC3=C(C2)C(=S)N=C(N3)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
AB00686231-01 (CAS 866807-97-8), with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol. IUPAC: 9-ethoxy-2-(3,4,5-trimethoxyphenyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-4-thione.
Chemical Property Profile of AB00686231-01
Property Insights of AB00686231-01
The XLogP value of 4.92719 indicates that AB00686231-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686231-01. Following Lipinski's Rule of Five, AB00686231-01 has 1 hydrogen bond donor(s) and 7 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 AB00686231-01?
The CAS number of AB00686231-01 is 866807-97-8.
What is the molecular formula of AB00686231-01?
The molecular formula of AB00686231-01 is C22H22N2O5S.
What is the molecular weight of AB00686231-01?
The molecular weight of AB00686231-01 is 426.12 g/mol.
Where can I buy AB00686231-01?
You can request a quote for AB00686231-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686231-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686231-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.