环黄杨碱
TL;DR: 环黄杨碱 (CAS 2241-90-9) is a chemical compound with molecular formula C25H42N2O and molecular weight 386.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环黄杨碱
12,16-dimethyl-6-(methylamino)-15-[1-(methylamino)ethyl]-7-methylidenepentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol
Also Known As: Cyclobuxine, Cyclobuxine D, (1S,3R,6S,8R,11S,12S,14R,15S,16R)-12,16-dimethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]-7-methylidenepentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol, (3-beta,5-alpha,16-alpha,20S)-14-Methyl-3,20-bis(methylamino)-4-methylene-9,19-cyclopregnan-16-ol, 9,19-Cyclo-5.alpha.,9.beta.-pregnan-16.alpha.-ol, 14-methyl-3.beta.,20.alpha.-bis(methylamino)-4-methylene-
| Molecular Formula | C25H42N2O |
|---|---|
| Molecular Weight | 386.33 g/mol |
| LogP | 4.1222 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.3297 |
| Heavy Atoms | 28 |
| Complexity | 692.03534 |
Chemical Identifiers
| CAS Number | 2241-90-9 |
|---|---|
| SMILES | CC(C1C(CC2(C1(CCC34C2CCC5C3(C4)CCC(C5=C)NC)C)C)O)NC |
Product Overview
环黄杨碱 (CAS 2241-90-9), with molecular formula C25H42N2O and molecular weight 386.33 g/mol. IUPAC: 12,16-dimethyl-6-(methylamino)-15-[1-(methylamino)ethyl]-7-methylidenepentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol.
Chemical Property Profile of 环黄杨碱
Property Insights of 环黄杨碱
The XLogP value of 4.1222 indicates that 环黄杨碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.29 Ų, 环黄杨碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环黄杨碱 has 3 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 环黄杨碱?
The CAS number of 环黄杨碱 is 2241-90-9.
What is the molecular formula of 环黄杨碱?
The molecular formula of 环黄杨碱 is C25H42N2O.
What is the molecular weight of 环黄杨碱?
The molecular weight of 环黄杨碱 is 386.33 g/mol.
Where can I buy 环黄杨碱?
You can request a quote for 环黄杨碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环黄杨碱?
Yes, KEHONG BIO provides custom synthesis services for 环黄杨碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.