CLL1_007198
TL;DR: CLL1_007198 (CAS 5210-81-1) is a chemical compound with molecular formula C53H60N2O12 and molecular weight 916.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(1,3-benzodioxol-5-ylmethyl)-N-[4-(3-formyl-4-methoxyphenoxy)-15,16-bis(4-hydroxybutyl)-12-phenylmethoxyimino-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_007198, Ethyl [(2H-1,3-benzodioxol-5-yl)methyl]{4-[(benzyloxy)imino]-10-(3-formyl-4-methoxyphenoxy)-1,2-bis(4-hydroxybutyl)-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}carbamate
| Molecular Formula | C53H60N2O12 |
|---|---|
| Molecular Weight | 916.41 g/mol |
| LogP | 9.5212 |
| Topological Polar Surface Area | 164.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Exact Mass | 916.4146 |
| Heavy Atoms | 67 |
| Complexity | 2421.7463 |
Chemical Identifiers
| CAS Number | 5210-81-1 |
|---|---|
| SMILES | CCOC(=O)N(CC1=CC2=C(C=C1)OCO2)C3CC(=NOCC4=CC=CC=C4)C5=CC(C(C6C5C3(OC7=C6C=C(C=C7)OC8=CC(=C(C=C8)OC)C=O)OCC=C)CCCCO)CCCCO |
Product Overview
CLL1_007198 (CAS 5210-81-1), with molecular formula C53H60N2O12 and molecular weight 916.41 g/mol. IUPAC: ethyl N-(1,3-benzodioxol-5-ylmethyl)-N-[4-(3-formyl-4-methoxyphenoxy)-15,16-bis(4-hydroxybutyl)-12-phenylmethoxyimino-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_007198
Property Insights of CLL1_007198
The XLogP value of 9.5212 indicates that CLL1_007198 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.04 Ų indicates high polarity, suggesting CLL1_007198 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_007198 has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CLL1_007198?
The CAS number of CLL1_007198 is 5210-81-1.
What is the molecular formula of CLL1_007198?
The molecular formula of CLL1_007198 is C53H60N2O12.
What is the molecular weight of CLL1_007198?
The molecular weight of CLL1_007198 is 916.41 g/mol.
Where can I buy CLL1_007198?
You can request a quote for CLL1_007198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_007198?
Yes, KEHONG BIO provides custom synthesis services for CLL1_007198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.