4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one
TL;DR: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one (CAS 893356-22-4) is a chemical compound with molecular formula C18H20ClNO4 and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-7-methylchromen-2-one
Also Known As: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one, F1864-0073, 6-chloro-4-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}methyl)-7-methyl-2H-chromen-2-one, 6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-7-methylchromen-2-one, 4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methyl]-6-chloro-7-methylchromen-2-one
| Molecular Formula | C18H20ClNO4 |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 3.09372 |
| Topological Polar Surface Area | 51.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.1081 |
| Heavy Atoms | 24 |
| Complexity | 815.61395 |
Chemical Identifiers
| CAS Number | 893356-22-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)C(=CC(=O)O2)CN3CCC4(CC3)OCCO4 |
Product Overview
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one (CAS 893356-22-4), with molecular formula C18H20ClNO4 and molecular weight 349.11 g/mol. IUPAC: 6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-7-methylchromen-2-one.
Chemical Property Profile of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one
Property Insights of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one
The XLogP value of 3.09372 indicates that 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.91 Ų, 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one has 0 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 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one?
The CAS number of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one is 893356-22-4.
What is the molecular formula of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one?
The molecular formula of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one is C18H20ClNO4.
What is the molecular weight of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one?
The molecular weight of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one is 349.11 g/mol.
Where can I buy 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one?
You can request a quote for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-chloro-7-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.