UPCMLD0ENAT0516-9386:001
TL;DR: UPCMLD0ENAT0516-9386:001 (CAS 489443-88-1) is a chemical compound with molecular formula C28H25N3O5S and molecular weight 515.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-[5-(1,3-dioxobenzo[de]isoquinolin-2-yl)pentyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
Also Known As: UPCMLD0ENAT0516-9386:001, AF-399/41370781, methyl 4-[({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]benzoate, methyl 4-(((5-(5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl)-1,3,4-oxadiazol-2-yl)thio)methyl)benzoate, methyl 4-[[5-[5-(1,3-dioxobenzo[de]isoquinolin-2-yl)pentyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
| Molecular Formula | C28H25N3O5S |
|---|---|
| Molecular Weight | 515.15 g/mol |
| LogP | 5.3107 |
| Topological Polar Surface Area | 102.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 515.1515 |
| Heavy Atoms | 37 |
| Complexity | 1413.7164 |
Chemical Identifiers
| CAS Number | 489443-88-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NN=C(O2)CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
UPCMLD0ENAT0516-9386:001 (CAS 489443-88-1), with molecular formula C28H25N3O5S and molecular weight 515.15 g/mol. IUPAC: methyl 4-[[5-[5-(1,3-dioxobenzo[de]isoquinolin-2-yl)pentyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of UPCMLD0ENAT0516-9386:001
Property Insights of UPCMLD0ENAT0516-9386:001
The XLogP value of 5.3107 indicates that UPCMLD0ENAT0516-9386:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.6 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0516-9386:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0516-9386:001 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0516-9386:001?
The CAS number of UPCMLD0ENAT0516-9386:001 is 489443-88-1.
What is the molecular formula of UPCMLD0ENAT0516-9386:001?
The molecular formula of UPCMLD0ENAT0516-9386:001 is C28H25N3O5S.
What is the molecular weight of UPCMLD0ENAT0516-9386:001?
The molecular weight of UPCMLD0ENAT0516-9386:001 is 515.15 g/mol.
Where can I buy UPCMLD0ENAT0516-9386:001?
You can request a quote for UPCMLD0ENAT0516-9386:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0516-9386:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0516-9386:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.