AB00689029-01
TL;DR: AB00689029-01 (CAS 710289-37-5) is a chemical compound with molecular formula C20H15ClN2O2S3 and molecular weight 446.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
Also Known As: AB00689029-01, F3007-0085, 3-(4-chlorophenyl)-6-ethyl-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-(4-chlorophenyl)-6-ethyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)thieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C20H15ClN2O2S3 |
|---|---|
| Molecular Weight | 446.00 g/mol |
| LogP | 5.6995 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.9984 |
| Heavy Atoms | 28 |
| Complexity | 1194.897 |
Chemical Identifiers
| CAS Number | 710289-37-5 |
|---|---|
| SMILES | CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=CS4 |
Product Overview
AB00689029-01 (CAS 710289-37-5), with molecular formula C20H15ClN2O2S3 and molecular weight 446.00 g/mol. IUPAC: 3-(4-chlorophenyl)-6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AB00689029-01
Property Insights of AB00689029-01
The XLogP value of 5.6995 indicates that AB00689029-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, AB00689029-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00689029-01 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00689029-01?
The CAS number of AB00689029-01 is 710289-37-5.
What is the molecular formula of AB00689029-01?
The molecular formula of AB00689029-01 is C20H15ClN2O2S3.
What is the molecular weight of AB00689029-01?
The molecular weight of AB00689029-01 is 446.00 g/mol.
Where can I buy AB00689029-01?
You can request a quote for AB00689029-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00689029-01?
Yes, KEHONG BIO provides custom synthesis services for AB00689029-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.