NABITAN
TL;DR: NABITAN (CAS 66556-74-9) is a chemical compound with molecular formula C35H52N2O3 and molecular weight 548.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate
Also Known As: NABITAN, Nabutan, Benzopyranoperidine, Nabitanum, Nabitan [INN]
| Molecular Formula | C35H52N2O3 |
|---|---|
| Molecular Weight | 548.40 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 548.39777 |
| Heavy Atoms | 40 |
| Complexity | 911.0 |
Chemical Identifiers
| CAS Number | 66556-74-9 |
|---|---|
| SMILES | CCCCCC(C)C(C)C1=CC2=C(C3=C(CCN(C3)CC#C)C(O2)(C)C)C(=C1)OC(=O)CCCN4CCCCC4 |
| InChIKey | MCVPMHDADNVRKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NABITAN (CAS 66556-74-9), with molecular formula C35H52N2O3 and molecular weight 548.40 g/mol. IUPAC: [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate.
Chemical Property Profile of NABITAN
Property Insights of NABITAN
The XLogP value of 6.9 indicates that NABITAN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, NABITAN exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NABITAN has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NABITAN?
The CAS number of NABITAN is 66556-74-9.
What is the molecular formula of NABITAN?
The molecular formula of NABITAN is C35H52N2O3.
What is the molecular weight of NABITAN?
The molecular weight of NABITAN is 548.40 g/mol.
Where can I buy NABITAN?
You can request a quote for NABITAN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NABITAN?
Yes, KEHONG BIO provides custom synthesis services for NABITAN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.