L689,502, Metabolite
TL;DR: L689,502, Metabolite (CAS 139934-80-8) is a chemical compound with molecular formula C35H42N2O8 and molecular weight 618.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2R,4S,5S)-4-hydroxy-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl]phenoxy]acetic acid
Also Known As: L689,502, Metabolite, L-685,434 deriv. 43, L 694746, L-694746, L-694,746
| Molecular Formula | C35H42N2O8 |
|---|---|
| Molecular Weight | 618.29 g/mol |
| LogP | 3.9702 |
| Topological Polar Surface Area | 154.42 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 618.2941 |
| Heavy Atoms | 45 |
| Complexity | 1438.0057 |
Chemical Identifiers
| CAS Number | 139934-80-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=C(C=C2)OCC(=O)O)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O |
Product Overview
L689,502, Metabolite (CAS 139934-80-8), with molecular formula C35H42N2O8 and molecular weight 618.29 g/mol. IUPAC: 2-[4-[(2R,4S,5S)-4-hydroxy-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl]phenoxy]acetic acid.
Chemical Property Profile of L689,502, Metabolite
Property Insights of L689,502, Metabolite
The XLogP value of 3.9702 indicates that L689,502, Metabolite is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.42 Ų indicates high polarity, suggesting L689,502, Metabolite may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L689,502, Metabolite 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 L689,502, Metabolite?
The CAS number of L689,502, Metabolite is 139934-80-8.
What is the molecular formula of L689,502, Metabolite?
The molecular formula of L689,502, Metabolite is C35H42N2O8.
What is the molecular weight of L689,502, Metabolite?
The molecular weight of L689,502, Metabolite is 618.29 g/mol.
Where can I buy L689,502, Metabolite?
You can request a quote for L689,502, Metabolite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L689,502, Metabolite?
Yes, KEHONG BIO provides custom synthesis services for L689,502, Metabolite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.