C33H35BrN2O7S
TL;DR: C33H35BrN2O7S (CAS 1024434-47-6) is a chemical compound with molecular formula C33H35BrN2O7S and molecular weight 682.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C33H35BrN2O7S |
|---|---|
| Molecular Weight | 682.13 g/mol |
| LogP | 6.6036 |
| Topological Polar Surface Area | 105.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 682.1348 |
| Heavy Atoms | 44 |
| Complexity | 1632.9114 |
Chemical Identifiers
| CAS Number | 1024434-47-6 |
|---|---|
| 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 |
Product Overview
C33H35BrN2O7S (CAS 1024434-47-6), with molecular formula C33H35BrN2O7S and molecular weight 682.13 g/mol. IUPAC: 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.
Chemical Property Profile of C33H35BrN2O7S
Property Insights of C33H35BrN2O7S
The XLogP value of 6.6036 indicates that C33H35BrN2O7S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.61 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
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 682.13 g/mol.
Where can I buy C33H35BrN2O7S?
You can request a quote for C33H35BrN2O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C33H35BrN2O7S?
Yes, KEHONG BIO provides custom synthesis services for C33H35BrN2O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.