5-23-12-00045 (Beilstein Handbook Reference)
TL;DR: 5-23-12-00045 (Beilstein Handbook Reference) (CAS 55137-75-2) is a chemical compound with molecular formula C27H37N3O and molecular weight 419.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptyl-8-methoxy-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Also Known As: 5-23-12-00045 (Beilstein Handbook Reference), 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-heptyl-8-methoxy-5-(2-(6-methyl-3-pyridyl)ethyl)-, 2,3,4,5-Tetrahydro-2-heptyl-8-methoxy-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indole, 2-heptyl-8-methoxy-5-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole, 2-heptyl-8-methoxy-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
| Molecular Formula | C27H37N3O |
|---|---|
| Molecular Weight | 419.29 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 30.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 419.29367 |
| Heavy Atoms | 31 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 55137-75-2 |
|---|---|
| SMILES | CCCCCCCN1CCC2=C(C1)C3=C(N2CCC4=CN=C(C=C4)C)C=CC(=C3)OC |
| InChIKey | YVTLOAPSCLUSRQ-UHFFFAOYSA-N |
Product Overview
5-23-12-00045 (Beilstein Handbook Reference) (CAS 55137-75-2), with molecular formula C27H37N3O and molecular weight 419.29 g/mol. IUPAC: 2-heptyl-8-methoxy-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
Chemical Property Profile of 5-23-12-00045 (Beilstein Handbook Reference)
Property Insights of 5-23-12-00045 (Beilstein Handbook Reference)
The XLogP value of 6.0 indicates that 5-23-12-00045 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.3 Ų, 5-23-12-00045 (Beilstein Handbook Reference) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-23-12-00045 (Beilstein Handbook Reference) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-23-12-00045 (Beilstein Handbook Reference)?
The CAS number of 5-23-12-00045 (Beilstein Handbook Reference) is 55137-75-2.
What is the molecular formula of 5-23-12-00045 (Beilstein Handbook Reference)?
The molecular formula of 5-23-12-00045 (Beilstein Handbook Reference) is C27H37N3O.
What is the molecular weight of 5-23-12-00045 (Beilstein Handbook Reference)?
The molecular weight of 5-23-12-00045 (Beilstein Handbook Reference) is 419.29 g/mol.
Where can I buy 5-23-12-00045 (Beilstein Handbook Reference)?
You can request a quote for 5-23-12-00045 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-23-12-00045 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-23-12-00045 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.