C22H20ClNO5
TL;DR: C22H20ClNO5 (CAS 903191-01-5) is a chemical compound with molecular formula C22H20ClNO5 and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(8-chloro-7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylamino]methyl]benzoate
Also Known As: methyl 4-((((8-chloro-7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)methyl)amino)methyl)benzoate, methyl 4-({[(8-chloro-7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)methyl]amino}methyl)benzoate, methyl 4-[[(8-chloro-7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylamino]methyl]benzoate
| Molecular Formula | C22H20ClNO5 |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 3.7171 |
| Topological Polar Surface Area | 88.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.103 |
| Heavy Atoms | 29 |
| Complexity | 1150.8069 |
Chemical Identifiers
| CAS Number | 903191-01-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CNCC2=C3C(=CC(=C2O)Cl)C4=C(CCC4)C(=O)O3 |
Product Overview
C22H20ClNO5 (CAS 903191-01-5), with molecular formula C22H20ClNO5 and molecular weight 413.10 g/mol. IUPAC: methyl 4-[[(8-chloro-7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylamino]methyl]benzoate.
Chemical Property Profile of C22H20ClNO5
Property Insights of C22H20ClNO5
The XLogP value of 3.7171 indicates that C22H20ClNO5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.77 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H20ClNO5. Following Lipinski's Rule of Five, C22H20ClNO5 has 2 hydrogen bond donor(s) and 6 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 C22H20ClNO5?
The CAS number of C22H20ClNO5 is 903191-01-5.
What is the molecular formula of C22H20ClNO5?
The molecular formula of C22H20ClNO5 is C22H20ClNO5.
What is the molecular weight of C22H20ClNO5?
The molecular weight of C22H20ClNO5 is 413.10 g/mol.
Where can I buy C22H20ClNO5?
You can request a quote for C22H20ClNO5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H20ClNO5?
Yes, KEHONG BIO provides custom synthesis services for C22H20ClNO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.