C29H22BrN3O7
TL;DR: C29H22BrN3O7 (CAS 1024391-01-2) is a chemical compound with molecular formula C29H22BrN3O7 and molecular weight 603.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-naphthalen-1-yl-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(naphthalen-1-yl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(naphthalen-1-yl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-naphthalen-1-yl-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, C29H22BrN3O7
| Molecular Formula | C29H22BrN3O7 |
|---|---|
| Molecular Weight | 603.06 g/mol |
| LogP | 5.6659 |
| Topological Polar Surface Area | 122.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 603.0641 |
| Heavy Atoms | 40 |
| Complexity | 1688.5593 |
Chemical Identifiers
| CAS Number | 1024391-01-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)ON2C6=CC(=CC=C6)[N+](=O)[O-])Br)O |
Product Overview
C29H22BrN3O7 (CAS 1024391-01-2), with molecular formula C29H22BrN3O7 and molecular weight 603.06 g/mol. IUPAC: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-naphthalen-1-yl-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of C29H22BrN3O7
Property Insights of C29H22BrN3O7
The XLogP value of 5.6659 indicates that C29H22BrN3O7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.45 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H22BrN3O7. Following Lipinski's Rule of Five, C29H22BrN3O7 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C29H22BrN3O7?
The CAS number of C29H22BrN3O7 is 1024391-01-2.
What is the molecular formula of C29H22BrN3O7?
The molecular formula of C29H22BrN3O7 is C29H22BrN3O7.
What is the molecular weight of C29H22BrN3O7?
The molecular weight of C29H22BrN3O7 is 603.06 g/mol.
Where can I buy C29H22BrN3O7?
You can request a quote for C29H22BrN3O7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H22BrN3O7?
Yes, KEHONG BIO provides custom synthesis services for C29H22BrN3O7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.