CLL1_002444
TL;DR: CLL1_002444 (CAS 5201-59-2) is a chemical compound with molecular formula C36H53N3O9 and molecular weight 671.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[12-ethoxyimino-4-(ethylcarbamoyloxy)-15,16-bis(4-hydroxybutyl)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-methylcarbamate
Also Known As: CLL1_002444, 6-[(Ethoxycarbonyl)(methyl)amino]-4-(ethoxyimino)-1,2-bis(4-hydroxybutyl)-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl ethylcarbamate
| Molecular Formula | C36H53N3O9 |
|---|---|
| Molecular Weight | 671.38 g/mol |
| LogP | 5.5367 |
| Topological Polar Surface Area | 148.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 671.3782 |
| Heavy Atoms | 48 |
| Complexity | 1317.3794 |
Chemical Identifiers
| CAS Number | 5201-59-2 |
|---|---|
| SMILES | CCNC(=O)OC1=CC2=C(C=C1)OC3(C(CC(=NOCC)C4=CC(C(C2C43)CCCCO)CCCCO)N(C)C(=O)OCC)OCC=C |
Product Overview
CLL1_002444 (CAS 5201-59-2), with molecular formula C36H53N3O9 and molecular weight 671.38 g/mol. IUPAC: ethyl N-[12-ethoxyimino-4-(ethylcarbamoyloxy)-15,16-bis(4-hydroxybutyl)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-methylcarbamate.
Chemical Property Profile of CLL1_002444
Property Insights of CLL1_002444
The XLogP value of 5.5367 indicates that CLL1_002444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.38 Ų indicates high polarity, suggesting CLL1_002444 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_002444 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CLL1_002444?
The CAS number of CLL1_002444 is 5201-59-2.
What is the molecular formula of CLL1_002444?
The molecular formula of CLL1_002444 is C36H53N3O9.
What is the molecular weight of CLL1_002444?
The molecular weight of CLL1_002444 is 671.38 g/mol.
Where can I buy CLL1_002444?
You can request a quote for CLL1_002444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_002444?
Yes, KEHONG BIO provides custom synthesis services for CLL1_002444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.