CLL1_000773
TL;DR: CLL1_000773 (CAS 5198-41-4) is a chemical compound with molecular formula C34H47ClN4O7 and molecular weight 658.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[5-(3-chloropropyl)triazol-1-yl]-15,16-bis(4-hydroxybutyl)-12-(oxan-2-yloxyimino)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraene-4,9-diol
Also Known As: CLL1_000773, 6-[5-(3-Chloropropyl)-1H-1,2,3-triazol-1-yl]-1,2-bis(4-hydroxybutyl)-4-{[(oxan-2-yl)oxy]imino}-2,4,5,6,11b,11c-hexahydrobenzo[kl]xanthene-6a,10(1H)-diol
| Molecular Formula | C34H47ClN4O7 |
|---|---|
| Molecular Weight | 658.31 g/mol |
| LogP | 4.9777 |
| Topological Polar Surface Area | 151.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 658.31335 |
| Heavy Atoms | 46 |
| Complexity | 1378.9526 |
Chemical Identifiers
| CAS Number | 5198-41-4 |
|---|---|
| SMILES | C1CCOC(C1)ON=C2CC(C3(C4C2=CC(C(C4C5=C(O3)C=CC(=C5)O)CCCCO)CCCCO)O)N6C(=CN=N6)CCCCl |
Product Overview
CLL1_000773 (CAS 5198-41-4), with molecular formula C34H47ClN4O7 and molecular weight 658.31 g/mol. IUPAC: 10-[5-(3-chloropropyl)triazol-1-yl]-15,16-bis(4-hydroxybutyl)-12-(oxan-2-yloxyimino)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraene-4,9-diol.
Chemical Property Profile of CLL1_000773
Property Insights of CLL1_000773
The XLogP value of 4.9777 indicates that CLL1_000773 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.68 Ų indicates high polarity, suggesting CLL1_000773 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_000773 has 4 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_000773?
The CAS number of CLL1_000773 is 5198-41-4.
What is the molecular formula of CLL1_000773?
The molecular formula of CLL1_000773 is C34H47ClN4O7.
What is the molecular weight of CLL1_000773?
The molecular weight of CLL1_000773 is 658.31 g/mol.
Where can I buy CLL1_000773?
You can request a quote for CLL1_000773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_000773?
Yes, KEHONG BIO provides custom synthesis services for CLL1_000773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.