beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride
TL;DR: beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride (CAS 102516-60-9) is a chemical compound with molecular formula C15H26ClNO2 and molecular weight 287.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(1-adamantylamino)propanoate;hydrochloride
Also Known As: N-beta-Carbethoxyethyladamantanamine hydrochloride, N-(1-Adamantyl)-beta-alanine ethyl ester hydrochloride, beta-ALANINE, N-(1-ADAMANTYL)-, ETHYL ESTER, HYDROCHLORIDE, ethyl 3-(1-adamantylamino)propanoate hydrochloride, ethyl 3-(1-adamantylamino)propanoate,hydrochloride
Technical Specifications
| Molecular Formula | C15H26ClNO2 |
| Molecular Weight | 287.1652 g/mol |
| XLogP | 2.92 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.1652 Da |
| Heavy Atoms | 19 |
| Complexity | 285.0 |
| SMILES | CCOC(=O)CCNC12CC3CC(C1)CC(C3)C2.Cl |
| InChIKey | HBXVHNNUWGHNGY-UHFFFAOYSA-N |
Chemical Property Profile of beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride
Property Insights of beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride
The XLogP value of 2.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 38.3 Ų, beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride 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
What is the CAS number of beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride?
The CAS number of beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride is 102516-60-9.
What is the molecular formula of beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride?
The molecular formula of beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride is C15H26ClNO2.
What is the molecular weight of beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride?
The molecular weight of beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride is 287.1652 g/mol.
Where can I buy beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride?
You can request a quote for beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for beta-Alanine, N-(1-adamantyl)-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.