CLL1_001107
TL;DR: CLL1_001107 (CAS 5199-04-2) is a chemical compound with molecular formula C32H46N2O8 and molecular weight 586.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-hydroxy-15,16-bis(4-hydroxybutyl)-12-methoxyimino-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-methylcarbamate
Also Known As: CLL1_001107, Ethyl {10-hydroxy-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}(methyl)carbamate
| Molecular Formula | C32H46N2O8 |
|---|---|
| Molecular Weight | 586.33 g/mol |
| LogP | 4.7439 |
| Topological Polar Surface Area | 130.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 586.32544 |
| Heavy Atoms | 42 |
| Complexity | 1153.3248 |
Chemical Identifiers
| CAS Number | 5199-04-2 |
|---|---|
| SMILES | CCOC(=O)N(C)C1CC(=NOC)C2=CC(C(C3C2C1(OC4=C3C=C(C=C4)O)OCC=C)CCCCO)CCCCO |
Product Overview
CLL1_001107 (CAS 5199-04-2), with molecular formula C32H46N2O8 and molecular weight 586.33 g/mol. IUPAC: ethyl N-[4-hydroxy-15,16-bis(4-hydroxybutyl)-12-methoxyimino-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-methylcarbamate.
Chemical Property Profile of CLL1_001107
Property Insights of CLL1_001107
The XLogP value of 4.7439 indicates that CLL1_001107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.28 Ų falls within the moderate polarity range, balancing permeability and solubility for CLL1_001107. Following Lipinski's Rule of Five, CLL1_001107 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CLL1_001107?
The CAS number of CLL1_001107 is 5199-04-2.
What is the molecular formula of CLL1_001107?
The molecular formula of CLL1_001107 is C32H46N2O8.
What is the molecular weight of CLL1_001107?
The molecular weight of CLL1_001107 is 586.33 g/mol.
Where can I buy CLL1_001107?
You can request a quote for CLL1_001107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_001107?
Yes, KEHONG BIO provides custom synthesis services for CLL1_001107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.