CAS 609794-60-7 - C27H29N3O7S
TL;DR: CAS 609794-60-7 - C27H29N3O7S (CAS 609794-60-7) is a chemical compound with molecular formula C27H29N3O7S and molecular weight 539.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-Butoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H29N3O7S |
|---|---|
| Molecular Weight | 539.17 g/mol |
| LogP | 4.67752 |
| Topological Polar Surface Area | 120.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 539.1726 |
| Heavy Atoms | 38 |
| Complexity | 1342.2408 |
Chemical Identifiers
| CAS Number | 609794-60-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC(=C(C(=C4)OC)OC)OC)/O |
Product Overview
CAS 609794-60-7 - C27H29N3O7S (CAS 609794-60-7), with molecular formula C27H29N3O7S and molecular weight 539.17 g/mol. IUPAC: (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of CAS 609794-60-7 - C27H29N3O7S
Property Insights of CAS 609794-60-7 - C27H29N3O7S
The XLogP value of 4.67752 indicates that CAS 609794-60-7 - C27H29N3O7S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.31 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 609794-60-7 - C27H29N3O7S. Following Lipinski's Rule of Five, CAS 609794-60-7 - C27H29N3O7S has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 609794-60-7 - C27H29N3O7S?
The CAS number of CAS 609794-60-7 - C27H29N3O7S is 609794-60-7.
What is the molecular formula of CAS 609794-60-7 - C27H29N3O7S?
The molecular formula of CAS 609794-60-7 - C27H29N3O7S is C27H29N3O7S.
What is the molecular weight of CAS 609794-60-7 - C27H29N3O7S?
The molecular weight of CAS 609794-60-7 - C27H29N3O7S is 539.17 g/mol.
Where can I buy CAS 609794-60-7 - C27H29N3O7S?
You can request a quote for CAS 609794-60-7 - C27H29N3O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 609794-60-7 - C27H29N3O7S?
Yes, KEHONG BIO provides custom synthesis services for CAS 609794-60-7 - C27H29N3O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.