1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate
TL;DR: 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate (CAS 61508-30-3) is a chemical compound with molecular formula C23H27NO8S and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophen-2-yl)-3-[bis(prop-2-enyl)amino]propan-1-one;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate, 1-(1-benzothiophen-2-yl)-3-[bis(prop-2-enyl)amino]propan-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-(1-benzothiophen-2-yl)-3-[di(prop-2-en-1-yl)amino]propan-1-one (1/1), RefChem:234869
| Molecular Formula | C23H27NO8S |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 2.8996 |
| Topological Polar Surface Area | 152.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 477.14575 |
| Heavy Atoms | 33 |
| Complexity | 953.81 |
Chemical Identifiers
| CAS Number | 61508-30-3 |
|---|---|
| SMILES | C=CCN(CCC(=O)C1=CC2=CC=CC=C2S1)CC=C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate (CAS 61508-30-3), with molecular formula C23H27NO8S and molecular weight 477.15 g/mol. IUPAC: 1-(1-benzothiophen-2-yl)-3-[bis(prop-2-enyl)amino]propan-1-one;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate
Property Insights of 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate
The XLogP value of 2.8996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate. The TPSA of 152.44 Ų indicates high polarity, suggesting 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate?
The CAS number of 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate is 61508-30-3.
What is the molecular formula of 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate?
The molecular formula of 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate is C23H27NO8S.
What is the molecular weight of 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate?
The molecular weight of 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate is 477.15 g/mol.
Where can I buy 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate?
You can request a quote for 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-, 2-hydroxy-1,2,3-propanetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.