CLL1_003753
TL;DR: CLL1_003753 (CAS 5204-09-1) is a chemical compound with molecular formula C48H58N4O9 and molecular weight 834.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[2-(aziridin-1-yl)ethoxy]-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]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
Also Known As: CLL1_003753, N-{10-[2-(Aziridin-1-yl)ethoxy]-4-[(benzyloxy)imino]-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}-N-methyl-3-(4-nitrophenyl)prop-2-enamide
| Molecular Formula | C48H58N4O9 |
|---|---|
| Molecular Weight | 834.42 g/mol |
| LogP | 7.2948 |
| Topological Polar Surface Area | 156.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 22 |
| Exact Mass | 834.42035 |
| Heavy Atoms | 61 |
| Complexity | 2068.3333 |
Chemical Identifiers
| CAS Number | 5204-09-1 |
|---|---|
| SMILES | CN(C1CC(=NOCC2=CC=CC=C2)C3=CC(C(C4C3C1(OC5=C4C=C(C=C5)OCCN6CC6)OCC=C)CCCCO)CCCCO)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-] |
Product Overview
CLL1_003753 (CAS 5204-09-1), with molecular formula C48H58N4O9 and molecular weight 834.42 g/mol. IUPAC: N-[4-[2-(aziridin-1-yl)ethoxy]-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]-N-methyl-3-(4-nitrophenyl)prop-2-enamide.
Chemical Property Profile of CLL1_003753
Property Insights of CLL1_003753
The XLogP value of 7.2948 indicates that CLL1_003753 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.2 Ų indicates high polarity, suggesting CLL1_003753 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_003753 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_003753?
The CAS number of CLL1_003753 is 5204-09-1.
What is the molecular formula of CLL1_003753?
The molecular formula of CLL1_003753 is C48H58N4O9.
What is the molecular weight of CLL1_003753?
The molecular weight of CLL1_003753 is 834.42 g/mol.
Where can I buy CLL1_003753?
You can request a quote for CLL1_003753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_003753?
Yes, KEHONG BIO provides custom synthesis services for CLL1_003753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.