CLL1_002213
TL;DR: CLL1_002213 (CAS 5201-14-9) is a chemical compound with molecular formula C49H64N2O9S and molecular weight 856.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylmethoxyethyl N-[12-ethoxyimino-15,16-bis(4-hydroxybutyl)-4-(4-methylsulfanylphenoxy)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-propylcarbamate
Also Known As: CLL1_002213, 2-(Benzyloxy)ethyl {4-(ethoxyimino)-1,2-bis(4-hydroxybutyl)-10-[4-(methylsulfanyl)phenoxy]-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}(propyl)carbamate
| Molecular Formula | C49H64N2O9S |
|---|---|
| Molecular Weight | 856.43 g/mol |
| LogP | 9.9197 |
| Topological Polar Surface Area | 128.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 24 |
| Exact Mass | 856.4332 |
| Heavy Atoms | 61 |
| Complexity | 1907.3969 |
Chemical Identifiers
| CAS Number | 5201-14-9 |
|---|---|
| SMILES | CCCN(C1CC(=NOCC)C2=CC(C(C3C2C1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)SC)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC6=CC=CC=C6 |
Product Overview
CLL1_002213 (CAS 5201-14-9), with molecular formula C49H64N2O9S and molecular weight 856.43 g/mol. IUPAC: 2-phenylmethoxyethyl N-[12-ethoxyimino-15,16-bis(4-hydroxybutyl)-4-(4-methylsulfanylphenoxy)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-propylcarbamate.
Chemical Property Profile of CLL1_002213
Property Insights of CLL1_002213
The XLogP value of 9.9197 indicates that CLL1_002213 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_002213. Following Lipinski's Rule of Five, CLL1_002213 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CLL1_002213?
The CAS number of CLL1_002213 is 5201-14-9.
What is the molecular formula of CLL1_002213?
The molecular formula of CLL1_002213 is C49H64N2O9S.
What is the molecular weight of CLL1_002213?
The molecular weight of CLL1_002213 is 856.43 g/mol.
Where can I buy CLL1_002213?
You can request a quote for CLL1_002213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_002213?
Yes, KEHONG BIO provides custom synthesis services for CLL1_002213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.