C21H17BrClNO6
TL;DR: C21H17BrClNO6 (CAS 880783-14-2) is a chemical compound with molecular formula C21H17BrClNO6 and molecular weight 492.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(2-hydroxyethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(2-hydroxyethyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(2-hydroxyethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C21H17BrClNO6 |
|---|---|
| Molecular Weight | 492.99 g/mol |
| LogP | 3.76902 |
| Topological Polar Surface Area | 100.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.99277 |
| Heavy Atoms | 30 |
| Complexity | 1254.7008 |
Chemical Identifiers
| CAS Number | 880783-14-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)C(=O)C3=C(O2)C(=O)N(C3C4=CC(=C(C(=C4)Br)O)OC)CCO |
Product Overview
C21H17BrClNO6 (CAS 880783-14-2), with molecular formula C21H17BrClNO6 and molecular weight 492.99 g/mol. IUPAC: 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(2-hydroxyethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
Chemical Property Profile of C21H17BrClNO6
Property Insights of C21H17BrClNO6
The XLogP value of 3.76902 indicates that C21H17BrClNO6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.21 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H17BrClNO6. Following Lipinski's Rule of Five, C21H17BrClNO6 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 C21H17BrClNO6?
The CAS number of C21H17BrClNO6 is 880783-14-2.
What is the molecular formula of C21H17BrClNO6?
The molecular formula of C21H17BrClNO6 is C21H17BrClNO6.
What is the molecular weight of C21H17BrClNO6?
The molecular weight of C21H17BrClNO6 is 492.99 g/mol.
Where can I buy C21H17BrClNO6?
You can request a quote for C21H17BrClNO6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H17BrClNO6?
Yes, KEHONG BIO provides custom synthesis services for C21H17BrClNO6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.