CLL1_000945
TL;DR: CLL1_000945 (CAS 5198-73-2) is a chemical compound with molecular formula C42H64N2O7 and molecular weight 708.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclopentyl-N-[4-hydroxy-15,16-bis(4-hydroxybutyl)-12-[(2-methylpropan-2-yl)oxyimino]-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-propylpropanamide
Also Known As: CLL1_000945, N-{4-(tert-Butoxyimino)-10-hydroxy-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}-3-cyclopentyl-N-propylpropanamide
| Molecular Formula | C42H64N2O7 |
|---|---|
| Molecular Weight | 708.47 g/mol |
| LogP | 8.0333 |
| Topological Polar Surface Area | 121.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 708.4714 |
| Heavy Atoms | 51 |
| Complexity | 1379.401 |
Chemical Identifiers
| CAS Number | 5198-73-2 |
|---|---|
| SMILES | CCCN(C1CC(=NOC(C)(C)C)C2=CC(C(C3C2C1(OC4=C3C=C(C=C4)O)OCC=C)CCCCO)CCCCO)C(=O)CCC5CCCC5 |
Product Overview
CLL1_000945 (CAS 5198-73-2), with molecular formula C42H64N2O7 and molecular weight 708.47 g/mol. IUPAC: 3-cyclopentyl-N-[4-hydroxy-15,16-bis(4-hydroxybutyl)-12-[(2-methylpropan-2-yl)oxyimino]-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-propylpropanamide.
Chemical Property Profile of CLL1_000945
Property Insights of CLL1_000945
The XLogP value of 8.0333 indicates that CLL1_000945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.05 Ų falls within the moderate polarity range, balancing permeability and solubility for CLL1_000945. Following Lipinski's Rule of Five, CLL1_000945 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CLL1_000945?
The CAS number of CLL1_000945 is 5198-73-2.
What is the molecular formula of CLL1_000945?
The molecular formula of CLL1_000945 is C42H64N2O7.
What is the molecular weight of CLL1_000945?
The molecular weight of CLL1_000945 is 708.47 g/mol.
Where can I buy CLL1_000945?
You can request a quote for CLL1_000945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_000945?
Yes, KEHONG BIO provides custom synthesis services for CLL1_000945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.