CLL1_007411
TL;DR: CLL1_007411 (CAS 5211-22-3) is a chemical compound with molecular formula C53H61ClFN3O11 and molecular weight 969.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl N-[4-[(2,4-dimethoxyphenyl)carbamoyloxy]-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-[(4-fluorophenyl)methyl]carbamate
Also Known As: CLL1_007411, 4-[(Benzyloxy)imino]-6-{[(2-chloroethoxy)carbonyl][(4-fluorophenyl)methyl]amino}-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 (2,4-dimethoxyphenyl)carbamate
| Molecular Formula | C53H61ClFN3O11 |
|---|---|
| Molecular Weight | 969.40 g/mol |
| LogP | 10.1652 |
| Topological Polar Surface Area | 166.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Exact Mass | 969.3979 |
| Heavy Atoms | 69 |
| Complexity | 2421.5225 |
Chemical Identifiers
| CAS Number | 5211-22-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)OC2=CC3=C(C=C2)OC4(C(CC(=NOCC5=CC=CC=C5)C6=CC(C(C3C64)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)OCCCl)OCC=C)OC |
Product Overview
CLL1_007411 (CAS 5211-22-3), with molecular formula C53H61ClFN3O11 and molecular weight 969.40 g/mol. IUPAC: 2-chloroethyl N-[4-[(2,4-dimethoxyphenyl)carbamoyloxy]-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-[(4-fluorophenyl)methyl]carbamate.
Chemical Property Profile of CLL1_007411
Property Insights of CLL1_007411
The XLogP value of 10.1652 indicates that CLL1_007411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.84 Ų indicates high polarity, suggesting CLL1_007411 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_007411 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_007411?
The CAS number of CLL1_007411 is 5211-22-3.
What is the molecular formula of CLL1_007411?
The molecular formula of CLL1_007411 is C53H61ClFN3O11.
What is the molecular weight of CLL1_007411?
The molecular weight of CLL1_007411 is 969.40 g/mol.
Where can I buy CLL1_007411?
You can request a quote for CLL1_007411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_007411?
Yes, KEHONG BIO provides custom synthesis services for CLL1_007411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.