C29H26N2O7S
TL;DR: C29H26N2O7S (CAS 514193-33-0) is a chemical compound with molecular formula C29H26N2O7S and molecular weight 546.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(2,3-dimethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: (4E)-5-(2,3-dimethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione, (4E)-5-(2,3-dimethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione, 5-(2,3-dimethoxyphenyl)-1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(4-methoxybenzoyl)-1H-pyrrol-2(5H)-one, 5-(2,3-dimethoxyphenyl)-1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-4-[(4-methoxyp henyl)carbonyl]-3-pyrrolin-2-one
| Molecular Formula | C29H26N2O7S |
|---|---|
| Molecular Weight | 546.15 g/mol |
| LogP | 5.3471 |
| Topological Polar Surface Area | 107.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.14606 |
| Heavy Atoms | 39 |
| Complexity | 1593.2365 |
Chemical Identifiers
| CAS Number | 514193-33-0 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(/C4=CC=C(C=C4)OC)\O)/C(=O)C3=O)C5=C(C(=CC=C5)OC)OC |
Product Overview
C29H26N2O7S (CAS 514193-33-0), with molecular formula C29H26N2O7S and molecular weight 546.15 g/mol. IUPAC: (4E)-5-(2,3-dimethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of C29H26N2O7S
Property Insights of C29H26N2O7S
The XLogP value of 5.3471 indicates that C29H26N2O7S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.42 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H26N2O7S. Following Lipinski's Rule of Five, C29H26N2O7S 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 C29H26N2O7S?
The CAS number of C29H26N2O7S is 514193-33-0.
What is the molecular formula of C29H26N2O7S?
The molecular formula of C29H26N2O7S is C29H26N2O7S.
What is the molecular weight of C29H26N2O7S?
The molecular weight of C29H26N2O7S is 546.15 g/mol.
Where can I buy C29H26N2O7S?
You can request a quote for C29H26N2O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H26N2O7S?
Yes, KEHONG BIO provides custom synthesis services for C29H26N2O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.