C33H35BrN2O7S
TL;DR: C33H35BrN2O7S (CAS 1024434-47-6) is a chemical compound with molecular formula C33H35BrN2O7S and molecular weight 682.1348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-(3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, C33H35BrN2O7S
Technical Specifications
| Molecular Formula | C33H35BrN2O7S |
| Molecular Weight | 682.1348 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 682.1348 Da |
| Heavy Atoms | 44 |
| Complexity | 1100.0 |
| SMILES | CCOC1=C(C(=CC(=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OC)ON2C6=CC=CC=C6)Br)O |
| InChIKey | PQKAJLOJBQUIGA-UHFFFAOYSA-N |
Chemical Property Profile of C33H35BrN2O7S
Property Insights of C33H35BrN2O7S
The XLogP value of 7.4 indicates that C33H35BrN2O7S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C33H35BrN2O7S. Following Lipinski's Rule of Five, C33H35BrN2O7S has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C33H35BrN2O7S?
The CAS number of C33H35BrN2O7S is 1024434-47-6.
What is the molecular formula of C33H35BrN2O7S?
The molecular formula of C33H35BrN2O7S is C33H35BrN2O7S.
What is the molecular weight of C33H35BrN2O7S?
The molecular weight of C33H35BrN2O7S is 682.1348 g/mol.
Where can I buy C33H35BrN2O7S?
You can request a quote for C33H35BrN2O7S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C33H35BrN2O7S?
Yes, CoreyChem provides custom synthesis services for C33H35BrN2O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.