UPCMLD0ENAT5357835:001
TL;DR: UPCMLD0ENAT5357835:001 (CAS 618872-71-2) is a chemical compound with molecular formula C28H20N2O5S and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
Also Known As: UPCMLD0ENAT5357835:001, AF-399/42017512, 3-(1-benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one, 4-(1-benzofuran-2-ylcarbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(4-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one, 4-(benzo[d]furan-2-ylcarbonyl)-1-(4,6-dimethylbenzothiazol-2-yl)-3-hydroxy-5-( 4-hydroxyphenyl)-3-pyrrolin-2-one
| Molecular Formula | C28H20N2O5S |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 6.14784 |
| Topological Polar Surface Area | 103.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.10928 |
| Heavy Atoms | 36 |
| Complexity | 1695.3547 |
Chemical Identifiers
| CAS Number | 618872-71-2 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=C(C=C6)O)C |
Product Overview
UPCMLD0ENAT5357835:001 (CAS 618872-71-2), with molecular formula C28H20N2O5S and molecular weight 496.11 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of UPCMLD0ENAT5357835:001
Property Insights of UPCMLD0ENAT5357835:001
The XLogP value of 6.14784 indicates that UPCMLD0ENAT5357835:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.87 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5357835:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5357835:001 has 2 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 UPCMLD0ENAT5357835:001?
The CAS number of UPCMLD0ENAT5357835:001 is 618872-71-2.
What is the molecular formula of UPCMLD0ENAT5357835:001?
The molecular formula of UPCMLD0ENAT5357835:001 is C28H20N2O5S.
What is the molecular weight of UPCMLD0ENAT5357835:001?
The molecular weight of UPCMLD0ENAT5357835:001 is 496.11 g/mol.
Where can I buy UPCMLD0ENAT5357835:001?
You can request a quote for UPCMLD0ENAT5357835:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5357835:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5357835:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.