CLL1_008816
TL;DR: CLL1_008816 (CAS 5214-01-7) is a chemical compound with molecular formula C54H63FN2O9 and molecular weight 902.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[15,16-bis(4-hydroxybutyl)-12-(oxan-2-yloxyimino)-4-(4-phenylphenoxy)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-[(4-fluorophenyl)methyl]carbamate
Also Known As: CLL1_008816, Ethyl {10-[([1,1'-biphenyl]-4-yl)oxy]-1,2-bis(4-hydroxybutyl)-4-{[(oxan-2-yl)oxy]imino}-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}[(4-fluorophenyl)methyl]carbamate
| Molecular Formula | C54H63FN2O9 |
|---|---|
| Molecular Weight | 902.45 g/mol |
| LogP | 11.1039 |
| Topological Polar Surface Area | 128.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 902.4518 |
| Heavy Atoms | 66 |
| Complexity | 2280.9624 |
Chemical Identifiers
| CAS Number | 5214-01-7 |
|---|---|
| SMILES | CCOC(=O)N(CC1=CC=C(C=C1)F)C2CC(=NOC3CCCCO3)C4=CC(C(C5C4C2(OC6=C5C=C(C=C6)OC7=CC=C(C=C7)C8=CC=CC=C8)OCC=C)CCCCO)CCCCO |
Product Overview
CLL1_008816 (CAS 5214-01-7), with molecular formula C54H63FN2O9 and molecular weight 902.45 g/mol. IUPAC: ethyl N-[15,16-bis(4-hydroxybutyl)-12-(oxan-2-yloxyimino)-4-(4-phenylphenoxy)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-[(4-fluorophenyl)methyl]carbamate.
Chemical Property Profile of CLL1_008816
Property Insights of CLL1_008816
The XLogP value of 11.1039 indicates that CLL1_008816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.51 Ų falls within the moderate polarity range, balancing permeability and solubility for CLL1_008816. Following Lipinski's Rule of Five, CLL1_008816 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CLL1_008816?
The CAS number of CLL1_008816 is 5214-01-7.
What is the molecular formula of CLL1_008816?
The molecular formula of CLL1_008816 is C54H63FN2O9.
What is the molecular weight of CLL1_008816?
The molecular weight of CLL1_008816 is 902.45 g/mol.
Where can I buy CLL1_008816?
You can request a quote for CLL1_008816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_008816?
Yes, KEHONG BIO provides custom synthesis services for CLL1_008816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.