CLL1_000027
TL;DR: CLL1_000027 (CAS 5196-92-9) is a chemical compound with molecular formula C37H51ClN4O6 and molecular weight 682.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[10-[5-(3-chloropropyl)triazol-1-yl]-12-ethoxyimino-16-(4-hydroxybutyl)-4,9-bis(prop-2-enoxy)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-15-yl]butan-1-ol
Also Known As: CLL1_000027, 4,4'-{6-[5-(3-Chloropropyl)-1H-1,2,3-triazol-1-yl]-4-(ethoxyimino)-6a,10-bis[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthene-1,2-diyl}di(butan-1-ol)
| Molecular Formula | C37H51ClN4O6 |
|---|---|
| Molecular Weight | 682.35 g/mol |
| LogP | 6.5405 |
| Topological Polar Surface Area | 120.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 682.34973 |
| Heavy Atoms | 48 |
| Complexity | 1428.2023 |
Chemical Identifiers
| CAS Number | 5196-92-9 |
|---|---|
| SMILES | CCON=C1CC(C2(C3C1=CC(C(C3C4=C(O2)C=CC(=C4)OCC=C)CCCCO)CCCCO)OCC=C)N5C(=CN=N5)CCCCl |
Product Overview
CLL1_000027 (CAS 5196-92-9), with molecular formula C37H51ClN4O6 and molecular weight 682.35 g/mol. IUPAC: 4-[10-[5-(3-chloropropyl)triazol-1-yl]-12-ethoxyimino-16-(4-hydroxybutyl)-4,9-bis(prop-2-enoxy)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-15-yl]butan-1-ol.
Chemical Property Profile of CLL1_000027
Property Insights of CLL1_000027
The XLogP value of 6.5405 indicates that CLL1_000027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.45 Ų falls within the moderate polarity range, balancing permeability and solubility for CLL1_000027. Following Lipinski's Rule of Five, CLL1_000027 has 2 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_000027?
The CAS number of CLL1_000027 is 5196-92-9.
What is the molecular formula of CLL1_000027?
The molecular formula of CLL1_000027 is C37H51ClN4O6.
What is the molecular weight of CLL1_000027?
The molecular weight of CLL1_000027 is 682.35 g/mol.
Where can I buy CLL1_000027?
You can request a quote for CLL1_000027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_000027?
Yes, KEHONG BIO provides custom synthesis services for CLL1_000027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.