SR 121463A
TL;DR: SR 121463A (CAS 308145-17-7) is a chemical compound with molecular formula C37H49N3O12S and molecular weight 759.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N-tert-butyl-4-[5'-ethoxy-4-(2-morpholin-4-ylethoxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]sulfonyl-3-methoxybenzamide
Also Known As: Satavaptan, Satavaptan fumarate, Aquilda, 185913-79-5 (fumarate), SR 121463A
| Molecular Formula | C37H49N3O12S |
|---|---|
| Molecular Weight | 759.30 g/mol |
| LogP | 3.5987 |
| Topological Polar Surface Area | 198.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 759.3037 |
| Heavy Atoms | 53 |
| Complexity | 1774.0796 |
Chemical Identifiers
| CAS Number | 308145-17-7 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(=O)C23CCC(CC3)OCCN4CCOCC4)S(=O)(=O)C5=C(C=C(C=C5)C(=O)NC(C)(C)C)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
SR 121463A (CAS 308145-17-7), with molecular formula C37H49N3O12S and molecular weight 759.30 g/mol. IUPAC: (E)-but-2-enedioic acid;N-tert-butyl-4-[5'-ethoxy-4-(2-morpholin-4-ylethoxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]sulfonyl-3-methoxybenzamide.
Chemical Property Profile of SR 121463A
Property Insights of SR 121463A
The XLogP value of 3.5987 indicates that SR 121463A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.31 Ų indicates high polarity, suggesting SR 121463A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SR 121463A has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SR 121463A?
The CAS number of SR 121463A is 308145-17-7.
What is the molecular formula of SR 121463A?
The molecular formula of SR 121463A is C37H49N3O12S.
What is the molecular weight of SR 121463A?
The molecular weight of SR 121463A is 759.30 g/mol.
Where can I buy SR 121463A?
You can request a quote for SR 121463A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SR 121463A?
Yes, KEHONG BIO provides custom synthesis services for SR 121463A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.