CPT11carboxylicacid
TL;DR: CPT11carboxylicacid (CAS 142706-06-7) is a chemical compound with molecular formula C33H40N4O7 and molecular weight 604.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)oxy-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
Also Known As: CPT11carboxylicacid, CPT 11 carboxylic acid, Irinotecan Impurity 19, J1.274.932E, (2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)oxy-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
| Molecular Formula | C33H40N4O7 |
|---|---|
| Molecular Weight | 604.29 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 604.2897 |
| Heavy Atoms | 44 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 142706-06-7 |
|---|---|
| SMILES | CCC1=C2CN3C(=CC(=C(C3=O)CO)[C@@](CC)(C(=O)O)O)C2=NC4=C1C=C(C=C4)OC(=O)N5CCC(CC5)N6CCCCC6 |
| InChIKey | DCYPPLWVDXGNOW-XIFFEERXSA-N |
Product Overview
CPT11carboxylicacid (CAS 142706-06-7), with molecular formula C33H40N4O7 and molecular weight 604.29 g/mol. IUPAC: (2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)oxy-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid.
Chemical Property Profile of CPT11carboxylicacid
Property Insights of CPT11carboxylicacid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CPT11carboxylicacid. The TPSA of 144.0 Ų indicates high polarity, suggesting CPT11carboxylicacid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CPT11carboxylicacid has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CPT11carboxylicacid?
The CAS number of CPT11carboxylicacid is 142706-06-7.
What is the molecular formula of CPT11carboxylicacid?
The molecular formula of CPT11carboxylicacid is C33H40N4O7.
What is the molecular weight of CPT11carboxylicacid?
The molecular weight of CPT11carboxylicacid is 604.29 g/mol.
Where can I buy CPT11carboxylicacid?
You can request a quote for CPT11carboxylicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CPT11carboxylicacid?
Yes, KEHONG BIO provides custom synthesis services for CPT11carboxylicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.