CLL1_008999
TL;DR: CLL1_008999 (CAS 5214-37-9) is a chemical compound with molecular formula C42H63N3O12 and molecular weight 801.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-(ethylcarbamoyloxy)-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-10-yl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
Also Known As: CLL1_008999, 6-{(Ethoxycarbonyl)[2-(2-hydroxyethoxy)ethyl]amino}-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 ethylcarbamate
| Molecular Formula | C42H63N3O12 |
|---|---|
| Molecular Weight | 801.44 g/mol |
| LogP | 5.4225 |
| Topological Polar Surface Area | 187.07 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Exact Mass | 801.44116 |
| Heavy Atoms | 57 |
| Complexity | 1516.5907 |
Chemical Identifiers
| CAS Number | 5214-37-9 |
|---|---|
| SMILES | CCNC(=O)OC1=CC2=C(C=C1)OC3(C(CC(=NOC4CCCCO4)C5=CC(C(C2C53)CCCCO)CCCCO)N(CCOCCO)C(=O)OCC)OCC=C |
Product Overview
CLL1_008999 (CAS 5214-37-9), with molecular formula C42H63N3O12 and molecular weight 801.44 g/mol. IUPAC: ethyl N-[4-(ethylcarbamoyloxy)-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-10-yl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate.
Chemical Property Profile of CLL1_008999
Property Insights of CLL1_008999
The XLogP value of 5.4225 indicates that CLL1_008999 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.07 Ų indicates high polarity, suggesting CLL1_008999 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CLL1_008999 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CLL1_008999?
The CAS number of CLL1_008999 is 5214-37-9.
What is the molecular formula of CLL1_008999?
The molecular formula of CLL1_008999 is C42H63N3O12.
What is the molecular weight of CLL1_008999?
The molecular weight of CLL1_008999 is 801.44 g/mol.
Where can I buy CLL1_008999?
You can request a quote for CLL1_008999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CLL1_008999?
Yes, KEHONG BIO provides custom synthesis services for CLL1_008999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.