1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate
TL;DR: 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (CAS 61508-22-3) is a chemical compound with molecular formula C24H31NO8S and molecular weight 493.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-1-(1-benzothiophen-3-yl)butan-1-one;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--4-(azepan-1-yl)-1-(1-benzothiophen-3-yl)butan-1-one (1/1), 4-(azepan-1-yl)-1-(1-benzothiophen-3-yl)butan-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid, 4-(azepan-1-yl)-1-benzothiophen-3-yl-butan-1-one; 2-hydroxypropane-1,2,3-tricarboxylic Acid, RefChem:228883
| Molecular Formula | C24H31NO8S |
|---|---|
| Molecular Weight | 493.18 g/mol |
| LogP | 3.4917 |
| Topological Polar Surface Area | 152.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 493.17703 |
| Heavy Atoms | 34 |
| Complexity | 977.77435 |
Chemical Identifiers
| CAS Number | 61508-22-3 |
|---|---|
| SMILES | C1CCCN(CC1)CCCC(=O)C2=CSC3=CC=CC=C32.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (CAS 61508-22-3), with molecular formula C24H31NO8S and molecular weight 493.18 g/mol. IUPAC: 4-(azepan-1-yl)-1-(1-benzothiophen-3-yl)butan-1-one;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate
Property Insights of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate
The XLogP value of 3.4917 indicates that 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.44 Ų indicates high polarity, suggesting 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 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-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate?
The CAS number of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate is 61508-22-3.
What is the molecular formula of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate?
The molecular formula of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate is C24H31NO8S.
What is the molecular weight of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate?
The molecular weight of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate is 493.18 g/mol.
Where can I buy 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate?
You can request a quote for 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 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-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.