伊立替康
TL;DR: 伊立替康 (CAS 97682-44-5) is a chemical compound with molecular formula C33H38N4O6 and molecular weight 586.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
伊立替康
(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-piperidin-1-ylpiperidine-1-carboxylate
Also Known As: irinotecan, Camptosar, Irinotecan hydrochloride, Irinotecan Hcl Trihydrate, s1198
| Molecular Formula | C33H38N4O6 |
|---|---|
| Molecular Weight | 586.28 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 586.2791 |
| Heavy Atoms | 43 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 97682-44-5 |
|---|---|
| SMILES | CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7 |
| InChIKey | UWKQSNNFCGGAFS-UHFFFAOYSA-N |
Product Overview
伊立替康 (CAS 97682-44-5), with molecular formula C33H38N4O6 and molecular weight 586.28 g/mol. IUPAC: (10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 4-piperidin-1-ylpiperidine-1-carboxylate.
Chemical Property Profile of 伊立替康
Property Insights of 伊立替康
The XLogP value of 3.0 indicates that 伊立替康 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 伊立替康. Following Lipinski's Rule of Five, 伊立替康 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 伊立替康?
The CAS number of 伊立替康 is 97682-44-5.
What is the molecular formula of 伊立替康?
The molecular formula of 伊立替康 is C33H38N4O6.
What is the molecular weight of 伊立替康?
The molecular weight of 伊立替康 is 586.28 g/mol.
Where can I buy 伊立替康?
You can request a quote for 伊立替康 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 伊立替康?
Yes, KEHONG BIO provides custom synthesis services for 伊立替康 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.