CLL1_008431
TL;DR: CLL1_008431 (CAS 5213-26-3) is a chemical compound with molecular formula C56H65N5O16 and molecular weight 1063.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[15,16-bis(4-hydroxybutyl)-10-[2-(2-hydroxyethoxy)ethyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]-12-[(4-nitrophenyl)methoxyimino]-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-yl] N-(2,4-dimethoxyphenyl)carbamate
Also Known As: CLL1_008431, 1,2-Bis(4-hydroxybutyl)-6-{N-[2-(2-hydroxyethoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamido}-4-{[(4-nitrophenyl)methoxy]imino}-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl (2,4-dimethoxyphenyl)carbamate
| Molecular Formula | C56H65N5O16 |
|---|---|
| Molecular Weight | 1063.44 g/mol |
| LogP | 8.5158 |
| Topological Polar Surface Area | 273.35 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 28 |
| Exact Mass | 1063.4426 |
| Heavy Atoms | 77 |
| Complexity | 2785.757 |
Chemical Identifiers
| CAS Number | 5213-26-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)OC2=CC3=C(C=C2)OC4(C(CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=CC(C(C3C64)CCCCO)CCCCO)N(CCOCCO)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-])OCC=C)OC |
Product Overview
CLL1_008431 (CAS 5213-26-3), with molecular formula C56H65N5O16 and molecular weight 1063.44 g/mol. IUPAC: [15,16-bis(4-hydroxybutyl)-10-[2-(2-hydroxyethoxy)ethyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]-12-[(4-nitrophenyl)methoxyimino]-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-yl] N-(2,4-dimethoxyphenyl)carbamate.
Chemical Property Profile of CLL1_008431
Property Insights of CLL1_008431
The XLogP value of 8.5158 indicates that CLL1_008431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 273.35 Ų indicates high polarity, suggesting CLL1_008431 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_008431 has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CLL1_008431?
The CAS number of CLL1_008431 is 5213-26-3.
What is the molecular formula of CLL1_008431?
The molecular formula of CLL1_008431 is C56H65N5O16.
What is the molecular weight of CLL1_008431?
The molecular weight of CLL1_008431 is 1063.44 g/mol.
Where can I buy CLL1_008431?
You can request a quote for CLL1_008431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_008431?
Yes, KEHONG BIO provides custom synthesis services for CLL1_008431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.