瑞香烷内酯B
TL;DR: 瑞香烷内酯B (CAS 38826-56-1) is a chemical compound with molecular formula C22H31NO2 and molecular weight 341.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
瑞香烷内酯B
(10S,11S,15S,18R,23R)-11-methyl-5-oxa-13-azahexacyclo[11.9.1.01,7.07,15.010,23.018,22]tricos-21-en-4-one
Also Known As: Daphnilactone B, (10S,11S,15S,18R,23R)-11-methyl-5-oxa-13-azahexacyclo[11.9.1.01,7.07,15.010,23.018,22]tricos-21-en-4-one, (8S,9S,12aS,14aR,18R)-9-Methyl-1,2,7,8,9,10,12a,13,14,14a,15,16-dodecahydro-3H,5H,6H,12H-8,11,17b-(methanetriyl)oxepino[4',3':4,5]azuleno[6,5-c]azonin-3-one, 6H,12H-8,11,17b-Metheno-3H,5H-oxepino(4',3':4,5)azuleno(6,5-c)azonin-3-one, 1,2,7,8,9,10,12a,13,14,14a,15,16-dodecahydro-9-methyl-, (5aR,8R,9S,12aS,14aR,17bR,18S)-, 9-Methyl-1,2,7,8,9,10,12a,13,14,14a,15,16-dodecahydro-3H,5H,6H,12H-8,11,17b-(methanetriyl)oxepino[4',3':4,5]azuleno[6,5-c]azonin-3-one
| Molecular Formula | C22H31NO2 |
|---|---|
| Molecular Weight | 341.24 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 341.23547 |
| Heavy Atoms | 25 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 38826-56-1 |
|---|---|
| SMILES | C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4C56[C@H]2[C@H]1CCC35COC(=O)CC6 |
| InChIKey | AEJYSVZYGHPRNK-CQQPRXJCSA-N |
Product Overview
瑞香烷内酯B (CAS 38826-56-1), with molecular formula C22H31NO2 and molecular weight 341.24 g/mol. IUPAC: (10S,11S,15S,18R,23R)-11-methyl-5-oxa-13-azahexacyclo[11.9.1.01,7.07,15.010,23.018,22]tricos-21-en-4-one.
Chemical Property Profile of 瑞香烷内酯B
Property Insights of 瑞香烷内酯B
The XLogP value of 3.5 indicates that 瑞香烷内酯B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 瑞香烷内酯B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 瑞香烷内酯B 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 瑞香烷内酯B?
The CAS number of 瑞香烷内酯B is 38826-56-1.
What is the molecular formula of 瑞香烷内酯B?
The molecular formula of 瑞香烷内酯B is C22H31NO2.
What is the molecular weight of 瑞香烷内酯B?
The molecular weight of 瑞香烷内酯B is 341.24 g/mol.
Where can I buy 瑞香烷内酯B?
You can request a quote for 瑞香烷内酯B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 瑞香烷内酯B?
Yes, KEHONG BIO provides custom synthesis services for 瑞香烷内酯B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.