N-Butyllaurotetanine
TL;DR: N-Butyllaurotetanine (CAS 41431-39-4) is a chemical compound with molecular formula C23H29NO4 and molecular weight 383.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-6-butyl-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
Also Known As: N-Butyllaurotetanine, (6aS)-6-Butyl-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol, 4H-Dibenzo(de,g)quinolin-9-ol, 6-butyl-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (S)-
| Molecular Formula | C23H29NO4 |
|---|---|
| Molecular Weight | 383.21 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.20966 |
| Heavy Atoms | 28 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 41431-39-4 |
|---|---|
| SMILES | CCCCN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)OC |
| InChIKey | OEKJRVVKGQGSLS-KRWDZBQOSA-N |
Product Overview
N-Butyllaurotetanine (CAS 41431-39-4), with molecular formula C23H29NO4 and molecular weight 383.21 g/mol. IUPAC: (6aS)-6-butyl-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol.
Chemical Property Profile of N-Butyllaurotetanine
Property Insights of N-Butyllaurotetanine
The XLogP value of 4.3 indicates that N-Butyllaurotetanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, N-Butyllaurotetanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyllaurotetanine has 1 hydrogen bond donor(s) and 5 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-Butyllaurotetanine?
The CAS number of N-Butyllaurotetanine is 41431-39-4.
What is the molecular formula of N-Butyllaurotetanine?
The molecular formula of N-Butyllaurotetanine is C23H29NO4.
What is the molecular weight of N-Butyllaurotetanine?
The molecular weight of N-Butyllaurotetanine is 383.21 g/mol.
Where can I buy N-Butyllaurotetanine?
You can request a quote for N-Butyllaurotetanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyllaurotetanine?
Yes, KEHONG BIO provides custom synthesis services for N-Butyllaurotetanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.