LABOTEST-BB LT00452242
TL;DR: LABOTEST-BB LT00452242 (CAS 17725-27-8) is a chemical compound with molecular formula C42H52N2O10 and molecular weight 744.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-carboxy-2-[[3-[4-(octadecanoylamino)phenyl]-3-oxopropanoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid
Also Known As: LABOTEST-BB LT00452242, 4-Benzyl-1,4-oxazinan-2-yl)methylamine, J1.318.408I, 5-[4-carboxy-2-[[3-[4-(octadecanoylamino)phenyl]-3-oxopropanoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid, 5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL] AMINO]PHENOXY]ISOPHTHALIC ACID
| Molecular Formula | C42H52N2O10 |
|---|---|
| Molecular Weight | 744.36 g/mol |
| LogP | 9.985 |
| Topological Polar Surface Area | 196.4 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 26 |
| Exact Mass | 744.3622 |
| Heavy Atoms | 54 |
| Complexity | 1703.04 |
Chemical Identifiers
| CAS Number | 17725-27-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)O)OC3=CC(=CC(=C3)C(=O)O)C(=O)O |
Product Overview
LABOTEST-BB LT00452242 (CAS 17725-27-8), with molecular formula C42H52N2O10 and molecular weight 744.36 g/mol. IUPAC: 5-[4-carboxy-2-[[3-[4-(octadecanoylamino)phenyl]-3-oxopropanoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of LABOTEST-BB LT00452242
Property Insights of LABOTEST-BB LT00452242
The XLogP value of 9.985 indicates that LABOTEST-BB LT00452242 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.4 Ų indicates high polarity, suggesting LABOTEST-BB LT00452242 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LABOTEST-BB LT00452242 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LABOTEST-BB LT00452242?
The CAS number of LABOTEST-BB LT00452242 is 17725-27-8.
What is the molecular formula of LABOTEST-BB LT00452242?
The molecular formula of LABOTEST-BB LT00452242 is C42H52N2O10.
What is the molecular weight of LABOTEST-BB LT00452242?
The molecular weight of LABOTEST-BB LT00452242 is 744.36 g/mol.
Where can I buy LABOTEST-BB LT00452242?
You can request a quote for LABOTEST-BB LT00452242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LABOTEST-BB LT00452242?
Yes, KEHONG BIO provides custom synthesis services for LABOTEST-BB LT00452242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.