三甲基秋水仙酸乙醚
TL;DR: 三甲基秋水仙酸乙醚 (CAS 40952-31-6) is a chemical compound with molecular formula C46H56N2O16 and molecular weight 892.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三甲基秋水仙酸乙醚
bis(7-amino-10-ethoxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one);2,3-dihydroxybutanedioic acid
Also Known As: Trimethylcolchicinic acid ethyl ether, 2-Amino-4'-methylbenzophenone m, C21H25NO5.1/2C4H6O6, C21-H25-N-O5.1/2C4-H6-O6, 7-amino-10-ethoxy-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5h)-one 2,3-dihydroxybutanedioate(2:1)
| Molecular Formula | C46H56N2O16 |
|---|---|
| Molecular Weight | 892.36 g/mol |
| LogP | 4.046 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 892.363 |
| Heavy Atoms | 64 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 40952-31-6 |
|---|---|
| SMILES | CCOC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N.CCOC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N.C(C(C(=O)O)O)(C(=O)O)O |
| InChIKey | DOWDLLJRHIDJGI-UHFFFAOYSA-N |
Product Overview
三甲基秋水仙酸乙醚 (CAS 40952-31-6), with molecular formula C46H56N2O16 and molecular weight 892.36 g/mol. IUPAC: bis(7-amino-10-ethoxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one);2,3-dihydroxybutanedioic acid.
Chemical Property Profile of 三甲基秋水仙酸乙醚
Property Insights of 三甲基秋水仙酸乙醚
The XLogP value of 4.046 indicates that 三甲基秋水仙酸乙醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 275.0 Ų indicates high polarity, suggesting 三甲基秋水仙酸乙醚 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 三甲基秋水仙酸乙醚 has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三甲基秋水仙酸乙醚?
The CAS number of 三甲基秋水仙酸乙醚 is 40952-31-6.
What is the molecular formula of 三甲基秋水仙酸乙醚?
The molecular formula of 三甲基秋水仙酸乙醚 is C46H56N2O16.
What is the molecular weight of 三甲基秋水仙酸乙醚?
The molecular weight of 三甲基秋水仙酸乙醚 is 892.36 g/mol.
Where can I buy 三甲基秋水仙酸乙醚?
You can request a quote for 三甲基秋水仙酸乙醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三甲基秋水仙酸乙醚?
Yes, KEHONG BIO provides custom synthesis services for 三甲基秋水仙酸乙醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.