UPCMLD0ENAT5982209:001
TL;DR: UPCMLD0ENAT5982209:001 (CAS 414899-10-8) is a chemical compound with molecular formula C23H27FO4 and molecular weight 386.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(4-fluorophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: UPCMLD0ENAT5982209:001, AB00079120-01, AB00079120-06, AO-990/15068140, 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(4-fluorophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C23H27FO4 |
|---|---|
| Molecular Weight | 386.19 g/mol |
| LogP | 4.0581 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.18933 |
| Heavy Atoms | 28 |
| Complexity | 746.6632 |
Chemical Identifiers
| CAS Number | 414899-10-8 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C |
Product Overview
UPCMLD0ENAT5982209:001 (CAS 414899-10-8), with molecular formula C23H27FO4 and molecular weight 386.19 g/mol. IUPAC: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(4-fluorophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5982209:001
Property Insights of UPCMLD0ENAT5982209:001
The XLogP value of 4.0581 indicates that UPCMLD0ENAT5982209:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5982209:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5982209:001 has 0 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5982209:001?
The CAS number of UPCMLD0ENAT5982209:001 is 414899-10-8.
What is the molecular formula of UPCMLD0ENAT5982209:001?
The molecular formula of UPCMLD0ENAT5982209:001 is C23H27FO4.
What is the molecular weight of UPCMLD0ENAT5982209:001?
The molecular weight of UPCMLD0ENAT5982209:001 is 386.19 g/mol.
Where can I buy UPCMLD0ENAT5982209:001?
You can request a quote for UPCMLD0ENAT5982209:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5982209:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5982209:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.