4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1)
TL;DR: 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1) (CAS 3829-17-2) is a chemical compound with molecular formula C11H17BrN2OS and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-1-one;hydrobromide
Also Known As: (Thiazolyl-2)(3-N-pyrrolidinopropyl)ketone hydrobromide, 4-(1-Pyrrolidinyl)-1-(2-thiazolyl)-1-butanone hydrobromide, 5-cyclohexyl-4-methyl-1,2,4-triazole-3-thiol, 1-Butanone, 4-(1-pyrrolidinyl)-1-(2-thiazolyl)-, hydrobromide, 4-(pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one hydrobromide(1:1)
| Molecular Formula | C11H17BrN2OS |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 2.7797 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.0245 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 3829-17-2 |
|---|---|
| SMILES | C1CCN(C1)CCCC(=O)C2=NC=CS2.Br |
| InChIKey | AGIBHPSMWBYTEB-UHFFFAOYSA-N |
Product Overview
4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1) (CAS 3829-17-2), with molecular formula C11H17BrN2OS and molecular weight 304.02 g/mol. IUPAC: 4-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-1-one;hydrobromide.
Chemical Property Profile of 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1)
Property Insights of 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1)
The XLogP value of 2.7797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1). The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1). Following Lipinski's Rule of Five, 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1) has 1 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 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1)?
The CAS number of 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1) is 3829-17-2.
What is the molecular formula of 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1)?
The molecular formula of 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1) is C11H17BrN2OS.
What is the molecular weight of 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1)?
The molecular weight of 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1) is 304.02 g/mol.
Where can I buy 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1)?
You can request a quote for 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.