Spasmocalm
TL;DR: Spasmocalm (CAS 1613-24-7) is a chemical compound with molecular formula C15H23NO2 and molecular weight 249.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-(diethylamino)butanoic acid
Also Known As: Spasmocalm, Dolispan, Dolyspan, 2-benzyl-4-(diethylamino)butanoic acid, 2-Benzyl-4-diethylaminobutyric acid
| Molecular Formula | C15H23NO2 |
|---|---|
| Molecular Weight | 249.17 g/mol |
| LogP | 2.6618 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 249.17288 |
| Heavy Atoms | 18 |
| Complexity | 346.77106 |
Chemical Identifiers
| CAS Number | 1613-24-7 |
|---|---|
| SMILES | CCN(CC)CCC(CC1=CC=CC=C1)C(=O)O |
Product Overview
Spasmocalm (CAS 1613-24-7), with molecular formula C15H23NO2 and molecular weight 249.17 g/mol. IUPAC: 2-benzyl-4-(diethylamino)butanoic acid.
Chemical Property Profile of Spasmocalm
Property Insights of Spasmocalm
The XLogP value of 2.6618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spasmocalm. With a topological polar surface area (TPSA) of 40.54 Ų, Spasmocalm exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spasmocalm has 1 hydrogen bond donor(s) and 2 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 Spasmocalm?
The CAS number of Spasmocalm is 1613-24-7.
What is the molecular formula of Spasmocalm?
The molecular formula of Spasmocalm is C15H23NO2.
What is the molecular weight of Spasmocalm?
The molecular weight of Spasmocalm is 249.17 g/mol.
Where can I buy Spasmocalm?
You can request a quote for Spasmocalm directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spasmocalm?
Yes, KEHONG BIO provides custom synthesis services for Spasmocalm and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.