Heptaverine
TL;DR: Heptaverine (CAS 54063-48-8) is a chemical compound with molecular formula C18H25N and molecular weight 255.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bicyclo[2.2.1]heptanylidene)-N,N-dimethyl-3-phenylpropan-1-amine
Also Known As: Heptaverine, Heptaverina, Heptaverinum, Heptaverin, Heptaverine [INN]
| Molecular Formula | C18H25N |
|---|---|
| Molecular Weight | 255.20 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.1987 |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 54063-48-8 |
|---|---|
| SMILES | CN(C)CCC(=C1CC2CCC1C2)C3=CC=CC=C3 |
| InChIKey | YZIDXWNNAXTCQH-UHFFFAOYSA-N |
Product Overview
Heptaverine (CAS 54063-48-8), with molecular formula C18H25N and molecular weight 255.20 g/mol. IUPAC: 3-(2-bicyclo[2.2.1]heptanylidene)-N,N-dimethyl-3-phenylpropan-1-amine.
Chemical Property Profile of Heptaverine
Property Insights of Heptaverine
The XLogP value of 4.5 indicates that Heptaverine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Heptaverine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptaverine has 0 hydrogen bond donor(s) and 1 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 Heptaverine?
The CAS number of Heptaverine is 54063-48-8.
What is the molecular formula of Heptaverine?
The molecular formula of Heptaverine is C18H25N.
What is the molecular weight of Heptaverine?
The molecular weight of Heptaverine is 255.20 g/mol.
Where can I buy Heptaverine?
You can request a quote for Heptaverine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptaverine?
Yes, KEHONG BIO provides custom synthesis services for Heptaverine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.