Elomotecan
TL;DR: Elomotecan (CAS 220998-10-7) is a chemical compound with molecular formula C29H32ClN3O4 and molecular weight 521.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(20R)-6-chloro-20-ethyl-20-hydroxy-7-methyl-10-[(4-methylpiperidin-1-yl)methyl]-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione
Also Known As: Elomotecan, elomotecanum, Elomotecan [INN], J2.039.679B, (20R)-6-chloro-20-ethyl-20-hydroxy-7-methyl-10-[(4-methylpiperidin-1-yl)methyl]-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione
| Molecular Formula | C29H32ClN3O4 |
|---|---|
| Molecular Weight | 521.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 521.2081 |
| Heavy Atoms | 37 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 220998-10-7 |
|---|---|
| SMILES | CC[C@]1(CC(=O)OCC2=C1C=C3C4=NC5=C(C=C(C(=C5)Cl)C)C(=C4CN3C2=O)CN6CCC(CC6)C)O |
| InChIKey | KAQREZSTQZWNAG-GDLZYMKVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Elomotecan (CAS 220998-10-7), with molecular formula C29H32ClN3O4 and molecular weight 521.21 g/mol. IUPAC: (20R)-6-chloro-20-ethyl-20-hydroxy-7-methyl-10-[(4-methylpiperidin-1-yl)methyl]-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione.
Chemical Property Profile of Elomotecan
Property Insights of Elomotecan
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elomotecan. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Elomotecan. Following Lipinski's Rule of Five, Elomotecan 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 Elomotecan?
The CAS number of Elomotecan is 220998-10-7.
What is the molecular formula of Elomotecan?
The molecular formula of Elomotecan is C29H32ClN3O4.
What is the molecular weight of Elomotecan?
The molecular weight of Elomotecan is 521.21 g/mol.
Where can I buy Elomotecan?
You can request a quote for Elomotecan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elomotecan?
Yes, KEHONG BIO provides custom synthesis services for Elomotecan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.