N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine
TL;DR: N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine (CAS 5249-21-8) is a chemical compound with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propanoic acid
Also Known As: N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine, 3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propanoic acid, 3-((3,4,5,6-Tetrahydro-2H-azepin-7-yl)amino)propanoic acid, 3-[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]propanoic acid, A2885/0121616
| Molecular Formula | C9H16N2O2 |
|---|---|
| Molecular Weight | 184.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.12119 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 5249-21-8 |
|---|---|
| SMILES | C1CCC(=NCC1)NCCC(=O)O |
| InChIKey | TZHUHCUUWHWQDW-UHFFFAOYSA-N |
Product Overview
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine (CAS 5249-21-8), with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol. IUPAC: 3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propanoic acid.
Chemical Property Profile of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine
Property Insights of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine. Following Lipinski's Rule of Five, N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine has 2 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 N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine?
The CAS number of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine is 5249-21-8.
What is the molecular formula of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine?
The molecular formula of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine is C9H16N2O2.
What is the molecular weight of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine?
The molecular weight of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine is 184.12 g/mol.
Where can I buy N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine?
You can request a quote for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.