CLL1_008747
TL;DR: CLL1_008747 (CAS 5213-87-6) is a chemical compound with molecular formula C56H71N3O11 and molecular weight 961.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10-[1,3-benzodioxol-5-ylmethyl(3-cyclopentylpropanoyl)amino]-15,16-bis(4-hydroxybutyl)-12-(oxan-2-yloxyimino)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-yl] N-benzylcarbamate
Also Known As: CLL1_008747, 6-{N-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-cyclopentylpropanamido}-1,2-bis(4-hydroxybutyl)-4-{[(oxan-2-yl)oxy]imino}-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl benzylcarbamate
| Molecular Formula | C56H71N3O11 |
|---|---|
| Molecular Weight | 961.51 g/mol |
| LogP | 9.8633 |
| Topological Polar Surface Area | 166.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 961.50885 |
| Heavy Atoms | 70 |
| Complexity | 2310.0645 |
Chemical Identifiers
| CAS Number | 5213-87-6 |
|---|---|
| SMILES | C=CCOC12C(CC(=NOC3CCCCO3)C4=CC(C(C(C41)C5=C(O2)C=CC(=C5)OC(=O)NCC6=CC=CC=C6)CCCCO)CCCCO)N(CC7=CC8=C(C=C7)OCO8)C(=O)CCC9CCCC9 |
Product Overview
CLL1_008747 (CAS 5213-87-6), with molecular formula C56H71N3O11 and molecular weight 961.51 g/mol. IUPAC: [10-[1,3-benzodioxol-5-ylmethyl(3-cyclopentylpropanoyl)amino]-15,16-bis(4-hydroxybutyl)-12-(oxan-2-yloxyimino)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-yl] N-benzylcarbamate.
Chemical Property Profile of CLL1_008747
Property Insights of CLL1_008747
The XLogP value of 9.8633 indicates that CLL1_008747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.84 Ų indicates high polarity, suggesting CLL1_008747 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_008747 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_008747?
The CAS number of CLL1_008747 is 5213-87-6.
What is the molecular formula of CLL1_008747?
The molecular formula of CLL1_008747 is C56H71N3O11.
What is the molecular weight of CLL1_008747?
The molecular weight of CLL1_008747 is 961.51 g/mol.
Where can I buy CLL1_008747?
You can request a quote for CLL1_008747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_008747?
Yes, KEHONG BIO provides custom synthesis services for CLL1_008747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.