CLL1_001706
TL;DR: CLL1_001706 (CAS 5200-15-7) is a chemical compound with molecular formula C53H58N2O6S and molecular weight 850.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[16-(4-hydroxybutyl)-12-phenylmethoxyimino-4-(4-phenylphenoxy)-9-prop-2-enoxy-10-(2-pyridin-4-ylethylsulfanyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-15-yl]butan-1-ol
Also Known As: CLL1_001706, 4,4'-(4-[(Benzyloxy)imino]-10-[([1,1'-biphenyl]-4-yl)oxy]-6a-[(prop-2-en-1-yl)oxy]-6-{[2-(pyridin-4-yl)ethyl]sulfanyl}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthene-1,2-diyl)di(butan-1-ol)
| Molecular Formula | C53H58N2O6S |
|---|---|
| Molecular Weight | 850.40 g/mol |
| LogP | 11.3506 |
| Topological Polar Surface Area | 102.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Exact Mass | 850.40155 |
| Heavy Atoms | 62 |
| Complexity | 2253.1497 |
Chemical Identifiers
| CAS Number | 5200-15-7 |
|---|---|
| SMILES | C=CCOC12C(CC(=NOCC3=CC=CC=C3)C4=CC(C(C(C41)C5=C(O2)C=CC(=C5)OC6=CC=C(C=C6)C7=CC=CC=C7)CCCCO)CCCCO)SCCC8=CC=NC=C8 |
Product Overview
CLL1_001706 (CAS 5200-15-7), with molecular formula C53H58N2O6S and molecular weight 850.40 g/mol. IUPAC: 4-[16-(4-hydroxybutyl)-12-phenylmethoxyimino-4-(4-phenylphenoxy)-9-prop-2-enoxy-10-(2-pyridin-4-ylethylsulfanyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-15-yl]butan-1-ol.
Chemical Property Profile of CLL1_001706
Property Insights of CLL1_001706
The XLogP value of 11.3506 indicates that CLL1_001706 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.63 Ų falls within the moderate polarity range, balancing permeability and solubility for CLL1_001706. Following Lipinski's Rule of Five, CLL1_001706 has 2 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 CLL1_001706?
The CAS number of CLL1_001706 is 5200-15-7.
What is the molecular formula of CLL1_001706?
The molecular formula of CLL1_001706 is C53H58N2O6S.
What is the molecular weight of CLL1_001706?
The molecular weight of CLL1_001706 is 850.40 g/mol.
Where can I buy CLL1_001706?
You can request a quote for CLL1_001706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_001706?
Yes, KEHONG BIO provides custom synthesis services for CLL1_001706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.