Selmid
TL;DR: Selmid (CAS 70985-43-2) is a chemical compound with molecular formula C33H55N3O4 and molecular weight 557.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethylethanamine;methyl (1S,4R,5R,9R,10R,12R,13R,17R)-15-(diethylaminomethyl)-9-methyl-14,16-dioxo-18-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylate
Also Known As: SELMID, Diethylaminomethylmaleopimaric acid imide diethylamine salt, 3b,11-Etheno-3bH-naphth(2,1-e)isoindole-6-carboxylic acid,2-((diethylamino)methyl)-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-6,9a-dimethyl-12-(1-methylethyl)-1,3-dioxo-, (3aR,3bS,5aR,6R,9aR,9bR,11R,11aR)-, compd. with N-ethylethanamine (1:1), Methyl (3aR,3bS,5aR,6R,9aR,9bR,11R,11aR)-2-[(diethylamino)methyl]-9a-methyl-1,3-dioxo-13-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylate--N-ethylethanamine (1/1), Methyl 2-[(diethylamino)methyl]-9a-methyl-1,3-dioxo-13-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylate--N-ethylethanamine (1/1)
| Molecular Formula | C33H55N3O4 |
|---|---|
| Molecular Weight | 557.42 g/mol |
| LogP | 5.1106 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 557.41925 |
| Heavy Atoms | 40 |
| Complexity | 950.0 |
Chemical Identifiers
| CAS Number | 70985-43-2 |
|---|---|
| SMILES | CCNCC.CCN(CC)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@]5(CCC[C@H]([C@H]5CC[C@]4([C@@H]2C1=O)C(=C3)C(C)C)C(=O)OC)C |
| InChIKey | XLKJYRJFUMVDQI-QKQQEJIJSA-N |
Product Overview
Selmid (CAS 70985-43-2), with molecular formula C33H55N3O4 and molecular weight 557.42 g/mol. IUPAC: N-ethylethanamine;methyl (1S,4R,5R,9R,10R,12R,13R,17R)-15-(diethylaminomethyl)-9-methyl-14,16-dioxo-18-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylate.
Chemical Property Profile of Selmid
Property Insights of Selmid
The XLogP value of 5.1106 indicates that Selmid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Selmid. Following Lipinski's Rule of Five, Selmid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Selmid?
The CAS number of Selmid is 70985-43-2.
What is the molecular formula of Selmid?
The molecular formula of Selmid is C33H55N3O4.
What is the molecular weight of Selmid?
The molecular weight of Selmid is 557.42 g/mol.
Where can I buy Selmid?
You can request a quote for Selmid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Selmid?
Yes, KEHONG BIO provides custom synthesis services for Selmid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.