![N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide structure](/static/products/577/577699-41-3.png)
N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide
TL;DR: N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide (CAS 577699-41-3) is a chemical compound with molecular formula C26H28ClN3O3S and molecular weight 497.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[[2-(4-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]propanamide
Also Known As: N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide, N-(3-chloro-4-methylphenyl)-2-[[2-(4-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]propanamide, N-(3-CHLORO-4-METHYLPHENYL)-2-{[2-(4-METHOXYPHENYL)-7,7-DIMETHYL-5H,7H,8H-PYRANO[4,3-D]PYRIMIDIN-4-YL]SULFANYL}PROPANAMIDE, N-(3-chloro-4-methylphenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}propanamide
| Molecular Formula | C26H28ClN3O3S |
|---|---|
| Molecular Weight | 497.15 g/mol |
| LogP | 6.08462 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.154 |
| Heavy Atoms | 34 |
| Complexity | 1214.6578 |
Chemical Identifiers
| CAS Number | 577699-41-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC(=NC3=C2COC(C3)(C)C)C4=CC=C(C=C4)OC)Cl |
Product Overview
N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide (CAS 577699-41-3), with molecular formula C26H28ClN3O3S and molecular weight 497.15 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[2-(4-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]propanamide.
Chemical Property Profile of N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide
Property Insights of N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide
The XLogP value of 6.08462 indicates that N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide. Following Lipinski's Rule of Five, N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide has 1 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 N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide?
The CAS number of N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide is 577699-41-3.
What is the molecular formula of N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide?
The molecular formula of N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide is C26H28ClN3O3S.
What is the molecular weight of N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide?
The molecular weight of N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide is 497.15 g/mol.
Where can I buy N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide?
You can request a quote for N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methylphenyl)-2-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.