CLL1_000053
TL;DR: CLL1_000053 (CAS 5196-98-5) is a chemical compound with molecular formula C42H55NO6S and molecular weight 701.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[10-cyclopentylsulfanyl-16-(4-hydroxybutyl)-12-phenylmethoxyimino-4,9-bis(prop-2-enoxy)-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_000053, 4,4'-{4-[(Benzyloxy)imino]-6-(cyclopentylsulfanyl)-6a,10-bis[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthene-1,2-diyl}di(butan-1-ol)
| Molecular Formula | C42H55NO6S |
|---|---|
| Molecular Weight | 701.38 g/mol |
| LogP | 8.761 |
| Topological Polar Surface Area | 89.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 701.375 |
| Heavy Atoms | 50 |
| Complexity | 1471.8423 |
Chemical Identifiers
| CAS Number | 5196-98-5 |
|---|---|
| SMILES | C=CCOC1=CC2=C(C=C1)OC3(C(CC(=NOCC4=CC=CC=C4)C5=CC(C(C2C53)CCCCO)CCCCO)SC6CCCC6)OCC=C |
Product Overview
CLL1_000053 (CAS 5196-98-5), with molecular formula C42H55NO6S and molecular weight 701.38 g/mol. IUPAC: 4-[10-cyclopentylsulfanyl-16-(4-hydroxybutyl)-12-phenylmethoxyimino-4,9-bis(prop-2-enoxy)-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_000053
Property Insights of CLL1_000053
The XLogP value of 8.761 indicates that CLL1_000053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.74 Ų falls within the moderate polarity range, balancing permeability and solubility for CLL1_000053. Following Lipinski's Rule of Five, CLL1_000053 has 2 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 CLL1_000053?
The CAS number of CLL1_000053 is 5196-98-5.
What is the molecular formula of CLL1_000053?
The molecular formula of CLL1_000053 is C42H55NO6S.
What is the molecular weight of CLL1_000053?
The molecular weight of CLL1_000053 is 701.38 g/mol.
Where can I buy CLL1_000053?
You can request a quote for CLL1_000053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_000053?
Yes, KEHONG BIO provides custom synthesis services for CLL1_000053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.