C21H21NO3
TL;DR: C21H21NO3 (CAS 1009485-75-9) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(4-methyl-6-oxo-3-tricyclo[6.2.2.02,7]dodeca-4,9-dienylidene)amino] 4-methylbenzoate
Also Known As: (1R,4S,4aS,8aR,E)-7-methyl-8-(((4-methylbenzoyl)oxy)imino)-4,4a,8,8a-tetrahydro-1,4-ethanonaphthalen-5(1H)-one
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 3.86522 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 816.04785 |
Chemical Identifiers
| CAS Number | 1009485-75-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)O/N=C/2\C3C4CCC(C3C(=O)C=C2C)C=C4 |
Product Overview
C21H21NO3 (CAS 1009485-75-9), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: [(E)-(4-methyl-6-oxo-3-tricyclo[6.2.2.02,7]dodeca-4,9-dienylidene)amino] 4-methylbenzoate.
Chemical Property Profile of C21H21NO3
Property Insights of C21H21NO3
The XLogP value of 3.86522 indicates that C21H21NO3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.73 Ų, C21H21NO3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H21NO3 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 C21H21NO3?
The CAS number of C21H21NO3 is 1009485-75-9.
What is the molecular formula of C21H21NO3?
The molecular formula of C21H21NO3 is C21H21NO3.
What is the molecular weight of C21H21NO3?
The molecular weight of C21H21NO3 is 335.15 g/mol.
Where can I buy C21H21NO3?
You can request a quote for C21H21NO3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H21NO3?
Yes, KEHONG BIO provides custom synthesis services for C21H21NO3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.