![3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione structure](/static/products/4782/478247-70-0.webp)
3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione
TL;DR: 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione (CAS 478247-70-0) is a chemical compound with molecular formula C9H10ClNO2S and molecular weight 231.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione
Also Known As: 3-[(2-chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione, 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,4-pentanedione, 9N-709, 3-[(2-chlorothiazol-5-yl)methyl]pentane-2,4-dione
| Molecular Formula | C9H10ClNO2S |
|---|---|
| Molecular Weight | 231.01 g/mol |
| LogP | 2.1332 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.01208 |
| Heavy Atoms | 14 |
| Complexity | 347.44885 |
Chemical Identifiers
| CAS Number | 478247-70-0 |
|---|---|
| SMILES | CC(=O)C(CC1=CN=C(S1)Cl)C(=O)C |
Product Overview
3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione (CAS 478247-70-0), with molecular formula C9H10ClNO2S and molecular weight 231.01 g/mol. IUPAC: 3-[(2-chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione.
Chemical Property Profile of 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione
Property Insights of 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione
The XLogP value of 2.1332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione. With a topological polar surface area (TPSA) of 47.03 Ų, 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione 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 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione?
The CAS number of 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione is 478247-70-0.
What is the molecular formula of 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione?
The molecular formula of 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione is C9H10ClNO2S.
What is the molecular weight of 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione?
The molecular weight of 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione is 231.01 g/mol.
Where can I buy 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione?
You can request a quote for 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Chloro-1,3-thiazol-5-yl)methyl]pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.