RefChem:468311
TL;DR: RefChem:468311 (CAS 790271-60-2) is a chemical compound with molecular formula C12H13ClN2OS and molecular weight 268.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]ethanone
Also Known As: 2-chloro-1-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]ethan-1-one, 2-Chloro-1-(2,5-dimethyl-1-(4-methylthiazol-2-yl)-1H-pyrrol-3-yl)ethanone, 2-chloro-1-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]ethanone, 2-chloro-1-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]ethanone, 2-chloro-1-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]ethanone
| Molecular Formula | C12H13ClN2OS |
|---|---|
| Molecular Weight | 268.04 g/mol |
| LogP | 3.28056 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0437 |
| Heavy Atoms | 17 |
| Complexity | 571.0678 |
Chemical Identifiers
| CAS Number | 790271-60-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)CCl |
Product Overview
RefChem:468311 (CAS 790271-60-2), with molecular formula C12H13ClN2OS and molecular weight 268.04 g/mol. IUPAC: 2-chloro-1-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]ethanone.
Chemical Property Profile of RefChem:468311
Property Insights of RefChem:468311
The XLogP value of 3.28056 indicates that RefChem:468311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, RefChem:468311 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:468311 has 0 hydrogen bond donor(s) and 3 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 RefChem:468311?
The CAS number of RefChem:468311 is 790271-60-2.
What is the molecular formula of RefChem:468311?
The molecular formula of RefChem:468311 is C12H13ClN2OS.
What is the molecular weight of RefChem:468311?
The molecular weight of RefChem:468311 is 268.04 g/mol.
Where can I buy RefChem:468311?
You can request a quote for RefChem:468311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:468311?
Yes, KEHONG BIO provides custom synthesis services for RefChem:468311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.