CLL1_009089
TL;DR: CLL1_009089 (CAS 5214-56-2) is a chemical compound with molecular formula C43H63N3O11 and molecular weight 797.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10-[cyclopropanecarbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-15,16-bis(4-hydroxybutyl)-12-(oxan-2-yloxyimino)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-yl] N-ethylcarbamate
Also Known As: CLL1_009089, 1,2-Bis(4-hydroxybutyl)-6-{N-[2-(2-hydroxyethoxy)ethyl]cyclopropanecarboxamido}-4-{[(oxan-2-yl)oxy]imino}-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl ethylcarbamate
| Molecular Formula | C43H63N3O11 |
|---|---|
| Molecular Weight | 797.45 g/mol |
| LogP | 5.2026 |
| Topological Polar Surface Area | 177.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 797.4463 |
| Heavy Atoms | 57 |
| Complexity | 1560.2239 |
Chemical Identifiers
| CAS Number | 5214-56-2 |
|---|---|
| SMILES | CCNC(=O)OC1=CC2=C(C=C1)OC3(C(CC(=NOC4CCCCO4)C5=CC(C(C2C53)CCCCO)CCCCO)N(CCOCCO)C(=O)C6CC6)OCC=C |
Product Overview
CLL1_009089 (CAS 5214-56-2), with molecular formula C43H63N3O11 and molecular weight 797.45 g/mol. IUPAC: [10-[cyclopropanecarbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-15,16-bis(4-hydroxybutyl)-12-(oxan-2-yloxyimino)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-yl] N-ethylcarbamate.
Chemical Property Profile of CLL1_009089
Property Insights of CLL1_009089
The XLogP value of 5.2026 indicates that CLL1_009089 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.84 Ų indicates high polarity, suggesting CLL1_009089 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_009089 has 4 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 CLL1_009089?
The CAS number of CLL1_009089 is 5214-56-2.
What is the molecular formula of CLL1_009089?
The molecular formula of CLL1_009089 is C43H63N3O11.
What is the molecular weight of CLL1_009089?
The molecular weight of CLL1_009089 is 797.45 g/mol.
Where can I buy CLL1_009089?
You can request a quote for CLL1_009089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_009089?
Yes, KEHONG BIO provides custom synthesis services for CLL1_009089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.