3-Bromo-4-chloro-7-diethylamino-chromen-2-one
TL;DR: 3-Bromo-4-chloro-7-diethylamino-chromen-2-one (CAS 133590-21-3) is a chemical compound with molecular formula C13H13BrClNO2 and molecular weight 328.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-chloro-7-(diethylamino)chromen-2-one
Also Known As: 3-Bromo-4-chloro-7-diethylamino-chromen-2-one, BAS 00231826, 3-bromo-4-chloro-7-(diethylamino)coumarin, 3-bromo-4-chloro-7-(diethylamino)chromen-2-one, 3-bromanyl-4-chloranyl-7-(diethylamino)chromen-2-one
| Molecular Formula | C13H13BrClNO2 |
|---|---|
| Molecular Weight | 328.98 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.9818 |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 133590-21-3 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)Br)Cl |
| InChIKey | QYVHPITUKBNDGT-UHFFFAOYSA-N |
Product Overview
3-Bromo-4-chloro-7-diethylamino-chromen-2-one (CAS 133590-21-3), with molecular formula C13H13BrClNO2 and molecular weight 328.98 g/mol. IUPAC: 3-bromo-4-chloro-7-(diethylamino)chromen-2-one.
Chemical Property Profile of 3-Bromo-4-chloro-7-diethylamino-chromen-2-one
Property Insights of 3-Bromo-4-chloro-7-diethylamino-chromen-2-one
The XLogP value of 4.0 indicates that 3-Bromo-4-chloro-7-diethylamino-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Bromo-4-chloro-7-diethylamino-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-chloro-7-diethylamino-chromen-2-one has 0 hydrogen bond donor(s) and 3 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 3-Bromo-4-chloro-7-diethylamino-chromen-2-one?
The CAS number of 3-Bromo-4-chloro-7-diethylamino-chromen-2-one is 133590-21-3.
What is the molecular formula of 3-Bromo-4-chloro-7-diethylamino-chromen-2-one?
The molecular formula of 3-Bromo-4-chloro-7-diethylamino-chromen-2-one is C13H13BrClNO2.
What is the molecular weight of 3-Bromo-4-chloro-7-diethylamino-chromen-2-one?
The molecular weight of 3-Bromo-4-chloro-7-diethylamino-chromen-2-one is 328.98 g/mol.
Where can I buy 3-Bromo-4-chloro-7-diethylamino-chromen-2-one?
You can request a quote for 3-Bromo-4-chloro-7-diethylamino-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 3-Bromo-4-chloro-7-diethylamino-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-chloro-7-diethylamino-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.