4R-0644
TL;DR: 4R-0644 (CAS 478047-24-4) is a chemical compound with molecular formula C16H14ClN5S and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1,3-thiazole
Also Known As: 4R-0644, 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridine, 2-chloro-5-[(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[3,4-b]pyridin-1-yl)methyl]-1,3-thiazole, 2-chloro-5-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-1,3-thiazole, 2-chloro-5-{[4,6-dimethyl-3-(pyrrol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]methyl}-1,3-thiazole
| Molecular Formula | C16H14ClN5S |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 3.99704 |
| Topological Polar Surface Area | 48.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.06586 |
| Heavy Atoms | 23 |
| Complexity | 983.66534 |
Chemical Identifiers
| CAS Number | 478047-24-4 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C(=NN2CC3=CN=C(S3)Cl)N4C=CC=C4)C |
Product Overview
4R-0644 (CAS 478047-24-4), with molecular formula C16H14ClN5S and molecular weight 343.07 g/mol. IUPAC: 2-chloro-5-[(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1,3-thiazole.
Chemical Property Profile of 4R-0644
Property Insights of 4R-0644
The XLogP value of 3.99704 indicates that 4R-0644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.53 Ų, 4R-0644 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4R-0644 has 0 hydrogen bond donor(s) and 4 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 4R-0644?
The CAS number of 4R-0644 is 478047-24-4.
What is the molecular formula of 4R-0644?
The molecular formula of 4R-0644 is C16H14ClN5S.
What is the molecular weight of 4R-0644?
The molecular weight of 4R-0644 is 343.07 g/mol.
Where can I buy 4R-0644?
You can request a quote for 4R-0644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4R-0644?
Yes, KEHONG BIO provides custom synthesis services for 4R-0644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.