千屈菜碱
TL;DR: 千屈菜碱 (CAS 5286-10-2) is a chemical compound with molecular formula C26H29NO5 and molecular weight 435.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
千屈菜碱
(1S,13Z,17S,19S)-9-hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one
Also Known As: Lythrine, Cryogenine, (+)-Lythrine, LYTHRINE, (+)-, Cid 6441299
| Molecular Formula | C26H29NO5 |
|---|---|
| Molecular Weight | 435.20 g/mol |
| LogP | 4.7044 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.20456 |
| Heavy Atoms | 32 |
| Complexity | 1062.423 |
Chemical Identifiers
| CAS Number | 5286-10-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)[C@@H]3C[C@H](C[C@H]4N3CCCC4)OC(=O)/C=C\C5=CC2=C(C=C5)O)OC |
Product Overview
千屈菜碱 (CAS 5286-10-2), with molecular formula C26H29NO5 and molecular weight 435.20 g/mol. IUPAC: (1S,13Z,17S,19S)-9-hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one.
Chemical Property Profile of 千屈菜碱
Property Insights of 千屈菜碱
The XLogP value of 4.7044 indicates that 千屈菜碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 千屈菜碱. Following Lipinski's Rule of Five, 千屈菜碱 has 1 hydrogen bond donor(s) and 6 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 千屈菜碱?
The CAS number of 千屈菜碱 is 5286-10-2.
What is the molecular formula of 千屈菜碱?
The molecular formula of 千屈菜碱 is C26H29NO5.
What is the molecular weight of 千屈菜碱?
The molecular weight of 千屈菜碱 is 435.20 g/mol.
Where can I buy 千屈菜碱?
You can request a quote for 千屈菜碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 千屈菜碱?
Yes, KEHONG BIO provides custom synthesis services for 千屈菜碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.