马钱子碱N-氧化物水合物
TL;DR: 马钱子碱N-氧化物水合物 (CAS 17301-81-4) is a chemical compound with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
马钱子碱N-氧化物水合物
(4aR,5aS,8aS)-10,11-dimethoxy-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
Also Known As: Brucine N-oxide, Brucine N-oxide hydrate, KST-1A2610, KST-1A2611, (4bs,7as,8ar)-2,3-dimethoxy-6,7,7a,8,8a,11,12a,12b,12c,13-decahydro-5h,14h-7,9-methano-12-oxa-7,14a-diazacyclohepta[1,2,3-cd]cyclopenta[g]fluoranthen-14-one 7-oxide
| Molecular Formula | C23H26N2O5 |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.18417 |
| Heavy Atoms | 30 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 17301-81-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)[C@]34CC[N+]5([C@H]3C[C@@H]6C7C4N2C(=O)CC7OCC=C6C5)[O-])OC |
| InChIKey | HHHQMKWPZAYIAE-ZLGAFOTDSA-N |
Product Overview
马钱子碱N-氧化物水合物 (CAS 17301-81-4), with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol. IUPAC: (4aR,5aS,8aS)-10,11-dimethoxy-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one.
Chemical Property Profile of 马钱子碱N-氧化物水合物
Property Insights of 马钱子碱N-氧化物水合物
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 马钱子碱N-氧化物水合物. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 马钱子碱N-氧化物水合物. Following Lipinski's Rule of Five, 马钱子碱N-氧化物水合物 has 0 hydrogen bond donor(s) and 5 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 马钱子碱N-氧化物水合物?
The CAS number of 马钱子碱N-氧化物水合物 is 17301-81-4.
What is the molecular formula of 马钱子碱N-氧化物水合物?
The molecular formula of 马钱子碱N-氧化物水合物 is C23H26N2O5.
What is the molecular weight of 马钱子碱N-氧化物水合物?
The molecular weight of 马钱子碱N-氧化物水合物 is 410.18 g/mol.
Where can I buy 马钱子碱N-氧化物水合物?
You can request a quote for 马钱子碱N-氧化物水合物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 马钱子碱N-氧化物水合物?
Yes, KEHONG BIO provides custom synthesis services for 马钱子碱N-氧化物水合物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.