C28H19N3O7S
TL;DR: C28H19N3O7S (CAS 1024564-85-9) is a chemical compound with molecular formula C28H19N3O7S and molecular weight 541.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[5-(4-nitrophenyl)thiophen-2-yl]-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid
Also Known As: 4-(3-(5-(4-nitrophenyl)thiophen-2-yl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid, 4-[3-[5-(4-nitrophenyl)thiophen-2-yl]-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid, 4-{3-[5-(4-nitrophenyl)thiophen-2-yl]-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl}benzoic acid, C28H19N3O7S
| Molecular Formula | C28H19N3O7S |
|---|---|
| Molecular Weight | 541.09 g/mol |
| LogP | 5.0726 |
| Topological Polar Surface Area | 130.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 541.09436 |
| Heavy Atoms | 39 |
| Complexity | 1602.3829 |
Chemical Identifiers
| CAS Number | 1024564-85-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)C5=CC=C(S5)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
C28H19N3O7S (CAS 1024564-85-9), with molecular formula C28H19N3O7S and molecular weight 541.09 g/mol. IUPAC: 4-[3-[5-(4-nitrophenyl)thiophen-2-yl]-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid.
Chemical Property Profile of C28H19N3O7S
Property Insights of C28H19N3O7S
The XLogP value of 5.0726 indicates that C28H19N3O7S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.29 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H19N3O7S. Following Lipinski's Rule of Five, C28H19N3O7S 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 C28H19N3O7S?
The CAS number of C28H19N3O7S is 1024564-85-9.
What is the molecular formula of C28H19N3O7S?
The molecular formula of C28H19N3O7S is C28H19N3O7S.
What is the molecular weight of C28H19N3O7S?
The molecular weight of C28H19N3O7S is 541.09 g/mol.
Where can I buy C28H19N3O7S?
You can request a quote for C28H19N3O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H19N3O7S?
Yes, KEHONG BIO provides custom synthesis services for C28H19N3O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.