CLL1_008693
TL;DR: CLL1_008693 (CAS 5213-77-4) is a chemical compound with molecular formula C57H68N2O12S and molecular weight 1004.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylmethoxyethyl N-(1,3-benzodioxol-5-ylmethyl)-N-[15,16-bis(4-hydroxybutyl)-4-(4-methylsulfanylphenoxy)-12-(oxan-2-yloxyimino)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]carbamate
Also Known As: CLL1_008693, 2-(Benzyloxy)ethyl [(2H-1,3-benzodioxol-5-yl)methyl]{1,2-bis(4-hydroxybutyl)-10-[4-(methylsulfanyl)phenoxy]-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}carbamate
| Molecular Formula | C57H68N2O12S |
|---|---|
| Molecular Weight | 1004.45 g/mol |
| LogP | 10.9453 |
| Topological Polar Surface Area | 156.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 24 |
| Exact Mass | 1004.4493 |
| Heavy Atoms | 72 |
| Complexity | 2481.9114 |
Chemical Identifiers
| CAS Number | 5213-77-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)OC2=CC3=C(C=C2)OC4(C(CC(=NOC5CCCCO5)C6=CC(C(C3C64)CCCCO)CCCCO)N(CC7=CC8=C(C=C7)OCO8)C(=O)OCCOCC9=CC=CC=C9)OCC=C |
Product Overview
CLL1_008693 (CAS 5213-77-4), with molecular formula C57H68N2O12S and molecular weight 1004.45 g/mol. IUPAC: 2-phenylmethoxyethyl N-(1,3-benzodioxol-5-ylmethyl)-N-[15,16-bis(4-hydroxybutyl)-4-(4-methylsulfanylphenoxy)-12-(oxan-2-yloxyimino)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]carbamate.
Chemical Property Profile of CLL1_008693
Property Insights of CLL1_008693
The XLogP value of 10.9453 indicates that CLL1_008693 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.2 Ų indicates high polarity, suggesting CLL1_008693 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_008693 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CLL1_008693?
The CAS number of CLL1_008693 is 5213-77-4.
What is the molecular formula of CLL1_008693?
The molecular formula of CLL1_008693 is C57H68N2O12S.
What is the molecular weight of CLL1_008693?
The molecular weight of CLL1_008693 is 1004.45 g/mol.
Where can I buy CLL1_008693?
You can request a quote for CLL1_008693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_008693?
Yes, KEHONG BIO provides custom synthesis services for CLL1_008693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.