4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine
TL;DR: 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine (CAS 312938-79-7) is a chemical compound with molecular formula C16H18ClNO2S and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
Also Known As: ChemDiv3_001688, IDI1_020654, 4-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine, (3-Chloro-6-methylbenzo[b]thiophen-2-yl)(2,6-dimethylmorpholino)methanone, (3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
| Molecular Formula | C16H18ClNO2S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 4.11252 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.07468 |
| Heavy Atoms | 21 |
| Complexity | 686.88696 |
Chemical Identifiers
| CAS Number | 312938-79-7 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl |
Product Overview
4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine (CAS 312938-79-7), with molecular formula C16H18ClNO2S and molecular weight 323.07 g/mol. IUPAC: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
Chemical Property Profile of 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine
Property Insights of 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine
The XLogP value of 4.11252 indicates that 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine has 0 hydrogen bond donor(s) and 3 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 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine?
The CAS number of 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine is 312938-79-7.
What is the molecular formula of 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine?
The molecular formula of 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine is C16H18ClNO2S.
What is the molecular weight of 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine?
The molecular weight of 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine is 323.07 g/mol.
Where can I buy 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine?
You can request a quote for 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.