C30H25BrN2O6S
TL;DR: C30H25BrN2O6S (CAS 893697-06-8) is a chemical compound with molecular formula C30H25BrN2O6S and molecular weight 620.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Also Known As: 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(4,6-dimethylbenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one, (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione, (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
| Molecular Formula | C30H25BrN2O6S |
|---|---|
| Molecular Weight | 620.06 g/mol |
| LogP | 6.33954 |
| Topological Polar Surface Area | 109.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 620.06165 |
| Heavy Atoms | 40 |
| Complexity | 1777.8309 |
Chemical Identifiers
| CAS Number | 893697-06-8 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CC(=C(C(=C6)Br)O)OC)/O |
Product Overview
C30H25BrN2O6S (CAS 893697-06-8), with molecular formula C30H25BrN2O6S and molecular weight 620.06 g/mol. IUPAC: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of C30H25BrN2O6S
Property Insights of C30H25BrN2O6S
The XLogP value of 6.33954 indicates that C30H25BrN2O6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.19 Ų falls within the moderate polarity range, balancing permeability and solubility for C30H25BrN2O6S. Following Lipinski's Rule of Five, C30H25BrN2O6S has 2 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 C30H25BrN2O6S?
The CAS number of C30H25BrN2O6S is 893697-06-8.
What is the molecular formula of C30H25BrN2O6S?
The molecular formula of C30H25BrN2O6S is C30H25BrN2O6S.
What is the molecular weight of C30H25BrN2O6S?
The molecular weight of C30H25BrN2O6S is 620.06 g/mol.
Where can I buy C30H25BrN2O6S?
You can request a quote for C30H25BrN2O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C30H25BrN2O6S?
Yes, KEHONG BIO provides custom synthesis services for C30H25BrN2O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.