CLL1_007379
TL;DR: CLL1_007379 (CAS 5211-16-5) is a chemical compound with molecular formula C47H58FN3O9 and molecular weight 827.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-(ethylcarbamoyloxy)-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_007379, 4-[(Benzyloxy)imino]-6-{(ethoxycarbonyl)[(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 ethylcarbamate
| Molecular Formula | C47H58FN3O9 |
|---|---|
| Molecular Weight | 827.42 g/mol |
| LogP | 8.4265 |
| Topological Polar Surface Area | 148.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 827.4157 |
| Heavy Atoms | 60 |
| Complexity | 1958.6897 |
Chemical Identifiers
| CAS Number | 5211-16-5 |
|---|---|
| SMILES | CCNC(=O)OC1=CC2=C(C=C1)OC3(C(CC(=NOCC4=CC=CC=C4)C5=CC(C(C2C53)CCCCO)CCCCO)N(CC6=CC=C(C=C6)F)C(=O)OCC)OCC=C |
Product Overview
CLL1_007379 (CAS 5211-16-5), with molecular formula C47H58FN3O9 and molecular weight 827.42 g/mol. IUPAC: ethyl N-[4-(ethylcarbamoyloxy)-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_007379
Property Insights of CLL1_007379
The XLogP value of 8.4265 indicates that CLL1_007379 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.38 Ų indicates high polarity, suggesting CLL1_007379 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_007379 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_007379?
The CAS number of CLL1_007379 is 5211-16-5.
What is the molecular formula of CLL1_007379?
The molecular formula of CLL1_007379 is C47H58FN3O9.
What is the molecular weight of CLL1_007379?
The molecular weight of CLL1_007379 is 827.42 g/mol.
Where can I buy CLL1_007379?
You can request a quote for CLL1_007379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_007379?
Yes, KEHONG BIO provides custom synthesis services for CLL1_007379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.