CLL1_002392
TL;DR: CLL1_002392 (CAS 5201-49-0) is a chemical compound with molecular formula C46H58N4O11S and molecular weight 874.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[12-ethoxyimino-15,16-bis(4-hydroxybutyl)-4-(3-nitrophenoxy)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-propylsulfamoyl]phenyl]acetamide
Also Known As: CLL1_002392, N-{4-[{4-(Ethoxyimino)-1,2-bis(4-hydroxybutyl)-10-(3-nitrophenoxy)-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}(propyl)sulfamoyl]phenyl}acetamide
| Molecular Formula | C46H58N4O11S |
|---|---|
| Molecular Weight | 874.38 g/mol |
| LogP | 8.0999 |
| Topological Polar Surface Area | 199.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 874.38226 |
| Heavy Atoms | 62 |
| Complexity | 2231.068 |
Chemical Identifiers
| CAS Number | 5201-49-0 |
|---|---|
| SMILES | CCCN(C1CC(=NOCC)C2=CC(C(C3C2C1(OC4=C3C=C(C=C4)OC5=CC=CC(=C5)[N+](=O)[O-])OCC=C)CCCCO)CCCCO)S(=O)(=O)C6=CC=C(C=C6)NC(=O)C |
Product Overview
CLL1_002392 (CAS 5201-49-0), with molecular formula C46H58N4O11S and molecular weight 874.38 g/mol. IUPAC: N-[4-[[12-ethoxyimino-15,16-bis(4-hydroxybutyl)-4-(3-nitrophenoxy)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-propylsulfamoyl]phenyl]acetamide.
Chemical Property Profile of CLL1_002392
Property Insights of CLL1_002392
The XLogP value of 8.0999 indicates that CLL1_002392 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.36 Ų indicates high polarity, suggesting CLL1_002392 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_002392 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CLL1_002392?
The CAS number of CLL1_002392 is 5201-49-0.
What is the molecular formula of CLL1_002392?
The molecular formula of CLL1_002392 is C46H58N4O11S.
What is the molecular weight of CLL1_002392?
The molecular weight of CLL1_002392 is 874.38 g/mol.
Where can I buy CLL1_002392?
You can request a quote for CLL1_002392 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_002392?
Yes, KEHONG BIO provides custom synthesis services for CLL1_002392 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.