3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide (CAS 353788-97-3) is a chemical compound with molecular formula C16H14ClN3O3S and molecular weight 363.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide, 3-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-6-methyl-1-benzothiophene-2-carboxamide, 3-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide
| Molecular Formula | C16H14ClN3O3S |
|---|---|
| Molecular Weight | 363.04 g/mol |
| LogP | 2.51282 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.04443 |
| Heavy Atoms | 24 |
| Complexity | 1094.3663 |
Chemical Identifiers
| CAS Number | 353788-97-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=O)N(C(=O)N3C)C)Cl |
Product Overview
3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide (CAS 353788-97-3), with molecular formula C16H14ClN3O3S and molecular weight 363.04 g/mol. IUPAC: 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide
The XLogP value of 2.51282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 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 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide is 353788-97-3.
What is the molecular formula of 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide is C16H14ClN3O3S.
What is the molecular weight of 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide is 363.04 g/mol.
Where can I buy 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.