![3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide structure](/static/products/4520/452076-94-7.webp)
3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
TL;DR: 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide (CAS 452076-94-7) is a chemical compound with molecular formula C24H30ClN5O3S and molecular weight 503.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-[3-(diethylamino)propyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
Also Known As: 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide, 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-[3-(diethylamino)propyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide, N-(3-Chloro-4-methylphenyl)-6-[[[3-(diethylamino)propyl]amino]carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-3(4H)-acetamide
| Molecular Formula | C24H30ClN5O3S |
|---|---|
| Molecular Weight | 503.18 g/mol |
| LogP | 3.82864 |
| Topological Polar Surface Area | 96.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 503.17578 |
| Heavy Atoms | 34 |
| Complexity | 1249.3696 |
Chemical Identifiers
| CAS Number | 452076-94-7 |
|---|---|
| SMILES | CCN(CC)CCCNC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC(=C(C=C3)C)Cl)C |
Product Overview
3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide (CAS 452076-94-7), with molecular formula C24H30ClN5O3S and molecular weight 503.18 g/mol. IUPAC: 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-[3-(diethylamino)propyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
Chemical Property Profile of 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Property Insights of 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
The XLogP value of 3.82864 indicates that 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide. Following Lipinski's Rule of Five, 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
The CAS number of 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide is 452076-94-7.
What is the molecular formula of 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
The molecular formula of 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide is C24H30ClN5O3S.
What is the molecular weight of 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
The molecular weight of 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide is 503.18 g/mol.
Where can I buy 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
You can request a quote for 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-N-[3-(diethylamino)propyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.