N-(beta-Alanyl)aza-15-crown-5 hydrochloride
TL;DR: N-(beta-Alanyl)aza-15-crown-5 hydrochloride (CAS 117007-36-0) is a chemical compound with molecular formula C13H27ClN2O5 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one;hydrochloride
Also Known As: N-(beta-Alanyl)aza-15-crown-5 hydrochloride, 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(3-amino-1-oxopropyl)-, monohydrochloride, 13-(3-Amino-1-oxopropyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane monohydrochloride, 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one hydrochloride, 3-Amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C13H27ClN2O5 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | -0.3344 |
| Topological Polar Surface Area | 83.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.16086 |
| Heavy Atoms | 21 |
| Complexity | 242.71613 |
Chemical Identifiers
| CAS Number | 117007-36-0 |
|---|---|
| SMILES | C1COCCOCCOCCOCCN1C(=O)CCN.Cl |
Product Overview
N-(beta-Alanyl)aza-15-crown-5 hydrochloride (CAS 117007-36-0), with molecular formula C13H27ClN2O5 and molecular weight 326.16 g/mol. IUPAC: 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one;hydrochloride.
Chemical Property Profile of N-(beta-Alanyl)aza-15-crown-5 hydrochloride
Property Insights of N-(beta-Alanyl)aza-15-crown-5 hydrochloride
The XLogP value of -0.3344 indicates that N-(beta-Alanyl)aza-15-crown-5 hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(beta-Alanyl)aza-15-crown-5 hydrochloride. Following Lipinski's Rule of Five, N-(beta-Alanyl)aza-15-crown-5 hydrochloride has 1 hydrogen bond donor(s) and 6 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 N-(beta-Alanyl)aza-15-crown-5 hydrochloride?
The CAS number of N-(beta-Alanyl)aza-15-crown-5 hydrochloride is 117007-36-0.
What is the molecular formula of N-(beta-Alanyl)aza-15-crown-5 hydrochloride?
The molecular formula of N-(beta-Alanyl)aza-15-crown-5 hydrochloride is C13H27ClN2O5.
What is the molecular weight of N-(beta-Alanyl)aza-15-crown-5 hydrochloride?
The molecular weight of N-(beta-Alanyl)aza-15-crown-5 hydrochloride is 326.16 g/mol.
Where can I buy N-(beta-Alanyl)aza-15-crown-5 hydrochloride?
You can request a quote for N-(beta-Alanyl)aza-15-crown-5 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(beta-Alanyl)aza-15-crown-5 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(beta-Alanyl)aza-15-crown-5 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.