喜巴辛
TL;DR: 喜巴辛 (CAS 6879-74-9) is a chemical compound with molecular formula C22H35NO2 and molecular weight 345.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
喜巴辛
4-[2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Also Known As: Himbacine, NCI60_001923, 4-[2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one, (3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one, 4-[2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
| Molecular Formula | C22H35NO2 |
|---|---|
| Molecular Weight | 345.27 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.26678 |
| Heavy Atoms | 25 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 6879-74-9 |
|---|---|
| SMILES | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C |
| InChIKey | FMPNFDSPHNUFOS-UHFFFAOYSA-N |
Product Overview
喜巴辛 (CAS 6879-74-9), with molecular formula C22H35NO2 and molecular weight 345.27 g/mol. IUPAC: 4-[2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one.
Chemical Property Profile of 喜巴辛
Property Insights of 喜巴辛
The XLogP value of 5.0 indicates that 喜巴辛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 喜巴辛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 喜巴辛 has 0 hydrogen bond donor(s) and 3 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 喜巴辛?
The CAS number of 喜巴辛 is 6879-74-9.
What is the molecular formula of 喜巴辛?
The molecular formula of 喜巴辛 is C22H35NO2.
What is the molecular weight of 喜巴辛?
The molecular weight of 喜巴辛 is 345.27 g/mol.
Where can I buy 喜巴辛?
You can request a quote for 喜巴辛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 喜巴辛?
Yes, KEHONG BIO provides custom synthesis services for 喜巴辛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.