A-123189
TL;DR: A-123189 (CAS 255713-53-2) is a chemical compound with molecular formula C26H28N4O3S and molecular weight 476.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(3-methylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
Also Known As: A-123189, GTPL491, EX-A14871, J1.535.485B, A 123189
| Molecular Formula | C26H28N4O3S |
|---|---|
| Molecular Weight | 476.19 g/mol |
| LogP | 3.55752 |
| Topological Polar Surface Area | 70.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.1882 |
| Heavy Atoms | 34 |
| Complexity | 1430.0027 |
Chemical Identifiers
| CAS Number | 255713-53-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=CSC3=C2C(=O)N(C(=O)N3)CCN4CCN(CC4)C5=CC=CC=C5OC |
Product Overview
A-123189 (CAS 255713-53-2), with molecular formula C26H28N4O3S and molecular weight 476.19 g/mol. IUPAC: 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(3-methylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.
Chemical Property Profile of A-123189
Property Insights of A-123189
The XLogP value of 3.55752 indicates that A-123189 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.57 Ų falls within the moderate polarity range, balancing permeability and solubility for A-123189. Following Lipinski's Rule of Five, A-123189 has 1 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 A-123189?
The CAS number of A-123189 is 255713-53-2.
What is the molecular formula of A-123189?
The molecular formula of A-123189 is C26H28N4O3S.
What is the molecular weight of A-123189?
The molecular weight of A-123189 is 476.19 g/mol.
Where can I buy A-123189?
You can request a quote for A-123189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-123189?
Yes, KEHONG BIO provides custom synthesis services for A-123189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.