detajmium
TL;DR: detajmium (CAS 5440-58-4) is a chemical compound with molecular formula C27H42N3O3+ and molecular weight 456.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R,10S,13S,14R,16S,18R)-15-[3-(diethylamino)-2-hydroxypropyl]-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Also Known As: detajmium, Tachmalcor, KST-1A5769, KST-1A5770, (16xi,17r,21
| Molecular Formula | C27H42N3O3+ |
|---|---|
| Molecular Weight | 456.32 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.32263 |
| Heavy Atoms | 33 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 5440-58-4 |
|---|---|
| SMILES | CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(CN(CC)CC)O)O |
| InChIKey | IXLGLCQSNUMEGQ-ULZCIMSGSA-N |
Product Overview
detajmium (CAS 5440-58-4), with molecular formula C27H42N3O3+ and molecular weight 456.32 g/mol. IUPAC: (1R,9R,10S,13S,14R,16S,18R)-15-[3-(diethylamino)-2-hydroxypropyl]-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.
Chemical Property Profile of detajmium
Property Insights of detajmium
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for detajmium. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for detajmium. Following Lipinski's Rule of Five, detajmium has 3 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 detajmium?
The CAS number of detajmium is 5440-58-4.
What is the molecular formula of detajmium?
The molecular formula of detajmium is C27H42N3O3+.
What is the molecular weight of detajmium?
The molecular weight of detajmium is 456.32 g/mol.
Where can I buy detajmium?
You can request a quote for detajmium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for detajmium?
Yes, KEHONG BIO provides custom synthesis services for detajmium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.