Edotecarin
TL;DR: Edotecarin (CAS 174402-32-5) is a chemical compound with molecular formula C29H28N4O11 and molecular weight 608.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(1,3-dihydroxypropan-2-ylamino)-6,20-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Also Known As: Edotecarin, Edotecarinum, Edotecarina, Edotecarine, E'dotecarine
| Molecular Formula | C29H28N4O11 |
|---|---|
| Molecular Weight | 608.18 g/mol |
| LogP | -0.7336 |
| Topological Polar Surface Area | 241.2 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 608.1755 |
| Heavy Atoms | 44 |
| Complexity | 1996.2 |
Chemical Identifiers
| CAS Number | 174402-32-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)NC3=C4C(=C5C(=C23)C(=O)N(C5=O)NC(CO)CO)C6=C(N4[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C=C(C=C6)O |
Product Overview
Edotecarin (CAS 174402-32-5), with molecular formula C29H28N4O11 and molecular weight 608.18 g/mol. IUPAC: 13-(1,3-dihydroxypropan-2-ylamino)-6,20-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.
Chemical Property Profile of Edotecarin
Property Insights of Edotecarin
The XLogP value of -0.7336 indicates that Edotecarin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 241.2 Ų indicates high polarity, suggesting Edotecarin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Edotecarin has 10 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Edotecarin?
The CAS number of Edotecarin is 174402-32-5.
What is the molecular formula of Edotecarin?
The molecular formula of Edotecarin is C29H28N4O11.
What is the molecular weight of Edotecarin?
The molecular weight of Edotecarin is 608.18 g/mol.
Where can I buy Edotecarin?
You can request a quote for Edotecarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Edotecarin?
Yes, KEHONG BIO provides custom synthesis services for Edotecarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.