C20H23N3O4S.1/2C4H4O4
TL;DR: C20H23N3O4S.1/2C4H4O4 (CAS 161364-76-7) is a chemical compound with molecular formula C44H52N6O12S2 and molecular weight 920.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butanedioic acid;bis(3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxo-N-(pyridin-3-ylmethyl)propanamide)
Also Known As: C20H23N3O4S.1/2C4H4O4, C20-H23-N3-O4-S.1/2C4-H4-O4, 3-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(3-pyridinylmethyl)-, (E)-2-butenedioate (2:1), butanedioic acid;3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxo-N-(pyridin-3-ylmethyl)propanamide, 1-(4-benzylpiperazin-1-yl)-3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]propane-1,3-dione hydrochloride
| Molecular Formula | C44H52N6O12S2 |
|---|---|
| Molecular Weight | 920.31 g/mol |
| LogP | 4.0898 |
| Topological Polar Surface Area | 236.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Exact Mass | 920.3085 |
| Heavy Atoms | 64 |
| Complexity | 1972.098 |
Chemical Identifiers
| CAS Number | 161364-76-7 |
|---|---|
| SMILES | COC1=CC=CC=C1OCC2N(CCS2)C(=O)CC(=O)NCC3=CN=CC=C3.COC1=CC=CC=C1OCC2N(CCS2)C(=O)CC(=O)NCC3=CN=CC=C3.C(CC(=O)O)C(=O)O |
Product Overview
C20H23N3O4S.1/2C4H4O4 (CAS 161364-76-7), with molecular formula C44H52N6O12S2 and molecular weight 920.31 g/mol. IUPAC: butanedioic acid;bis(3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxo-N-(pyridin-3-ylmethyl)propanamide).
Chemical Property Profile of C20H23N3O4S.1/2C4H4O4
Property Insights of C20H23N3O4S.1/2C4H4O4
The XLogP value of 4.0898 indicates that C20H23N3O4S.1/2C4H4O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.12 Ų indicates high polarity, suggesting C20H23N3O4S.1/2C4H4O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H23N3O4S.1/2C4H4O4 has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H23N3O4S.1/2C4H4O4?
The CAS number of C20H23N3O4S.1/2C4H4O4 is 161364-76-7.
What is the molecular formula of C20H23N3O4S.1/2C4H4O4?
The molecular formula of C20H23N3O4S.1/2C4H4O4 is C44H52N6O12S2.
What is the molecular weight of C20H23N3O4S.1/2C4H4O4?
The molecular weight of C20H23N3O4S.1/2C4H4O4 is 920.31 g/mol.
Where can I buy C20H23N3O4S.1/2C4H4O4?
You can request a quote for C20H23N3O4S.1/2C4H4O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H23N3O4S.1/2C4H4O4?
Yes, KEHONG BIO provides custom synthesis services for C20H23N3O4S.1/2C4H4O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.