![3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride structure](/static/products/4742/474263-21-3.webp)
3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride
TL;DR: 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride (CAS 474263-21-3) is a chemical compound with molecular formula C15H14ClN3O2S and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid;hydrochloride
Also Known As: CK2 inhibitor 4, 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride, 3-({5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4-YL}AMINO)BENZOIC ACID HYDROCHLORIDE, 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid chloride, 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid hydrochloride
| Molecular Formula | C15H14ClN3O2S |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 4.17174 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.04953 |
| Heavy Atoms | 22 |
| Complexity | 847.91986 |
Chemical Identifiers
| CAS Number | 474263-21-3 |
|---|---|
| SMILES | CC1=C(SC2=NC=NC(=C12)NC3=CC=CC(=C3)C(=O)O)C.Cl |
Product Overview
3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride (CAS 474263-21-3), with molecular formula C15H14ClN3O2S and molecular weight 335.05 g/mol. IUPAC: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid;hydrochloride.
Chemical Property Profile of 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride
Property Insights of 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride
The XLogP value of 4.17174 indicates that 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride. Following Lipinski's Rule of Five, 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride has 2 hydrogen bond donor(s) and 5 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 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride?
The CAS number of 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride is 474263-21-3.
What is the molecular formula of 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride?
The molecular formula of 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride is C15H14ClN3O2S.
What is the molecular weight of 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride?
The molecular weight of 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride is 335.05 g/mol.
Where can I buy 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride?
You can request a quote for 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.