UPCMLD0ENAT5840987:001
TL;DR: UPCMLD0ENAT5840987:001 (CAS 879045-88-2) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-3-(2-oxopropyl)indol-2-one
Also Known As: UPCMLD0ENAT5840987:001, ASN 14404387, VU0512994-1, AT-057/43469475, 1-(3,4-dimethoxybenzyl)-3-hydroxy-7-methyl-3-(2-oxopropyl)-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 2.72572 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 907.4401 |
Chemical Identifiers
| CAS Number | 879045-88-2 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(C(=O)N2CC3=CC(=C(C=C3)OC)OC)(CC(=O)C)O |
Product Overview
UPCMLD0ENAT5840987:001 (CAS 879045-88-2), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-3-(2-oxopropyl)indol-2-one.
Chemical Property Profile of UPCMLD0ENAT5840987:001
Property Insights of UPCMLD0ENAT5840987:001
The XLogP value of 2.72572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5840987:001. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5840987:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5840987:001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5840987:001?
The CAS number of UPCMLD0ENAT5840987:001 is 879045-88-2.
What is the molecular formula of UPCMLD0ENAT5840987:001?
The molecular formula of UPCMLD0ENAT5840987:001 is C21H23NO5.
What is the molecular weight of UPCMLD0ENAT5840987:001?
The molecular weight of UPCMLD0ENAT5840987:001 is 369.16 g/mol.
Where can I buy UPCMLD0ENAT5840987:001?
You can request a quote for UPCMLD0ENAT5840987:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5840987:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5840987:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.