1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate
TL;DR: 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate (CAS 61508-26-7) is a chemical compound with molecular formula C19H23NO5S and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-1-(1-benzothiophen-2-yl)propan-1-one;oxalic acid
Also Known As: 1-(Benzothien-2'-yl)-3-N-perhydroazepinopropanone oxalate, 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate, 1-Benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-1-propanone ethanedioate, 3-(azepan-1-yl)-1-(1-benzothiophen-2-yl)propan-1-one; oxalic acid, Oxalic acid--3-(azepan-1-yl)-1-(1-benzothiophen-2-yl)propan-1-one (1/1)
| Molecular Formula | C19H23NO5S |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 3.5057 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.1297 |
| Heavy Atoms | 26 |
| Complexity | 717.1302 |
Chemical Identifiers
| CAS Number | 61508-26-7 |
|---|---|
| SMILES | C1CCCN(CC1)CCC(=O)C2=CC3=CC=CC=C3S2.C(=O)(C(=O)O)O |
Product Overview
1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate (CAS 61508-26-7), with molecular formula C19H23NO5S and molecular weight 377.13 g/mol. IUPAC: 3-(azepan-1-yl)-1-(1-benzothiophen-2-yl)propan-1-one;oxalic acid.
Chemical Property Profile of 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate
Property Insights of 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate
The XLogP value of 3.5057 indicates that 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate. Following Lipinski's Rule of Five, 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate has 2 hydrogen bond donor(s) and 5 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-(hexahydro-1H-azepin-1-yl)-, ethanedioate?
The CAS number of 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate is 61508-26-7.
What is the molecular formula of 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate?
The molecular formula of 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate is C19H23NO5S.
What is the molecular weight of 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate?
The molecular weight of 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate is 377.13 g/mol.
Where can I buy 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate?
You can request a quote for 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate 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-(hexahydro-1H-azepin-1-yl)-, ethanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 1-benzo(b)thien-2-yl-3-(hexahydro-1H-azepin-1-yl)-, ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.