![2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/371/371949-57-4.png)
2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 371949-57-4) is a chemical compound with molecular formula C27H27ClN2O3S and molecular weight 494.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ol
| Molecular Formula | C27H27ClN2O3S |
|---|---|
| Molecular Weight | 494.14 g/mol |
| LogP | 6.81312 |
| Topological Polar Surface Area | 64.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.1431 |
| Heavy Atoms | 34 |
| Complexity | 1454.7705 |
Chemical Identifiers
| CAS Number | 371949-57-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C(C=CC(=C2)C3=NC4=C(C5=C(S4)CCC5)C(=O)N3)OC |
Product Overview
2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 371949-57-4), with molecular formula C27H27ClN2O3S and molecular weight 494.14 g/mol. IUPAC: 10-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 6.81312 indicates that 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one. Following Lipinski's Rule of Five, 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 371949-57-4.
What is the molecular formula of 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C27H27ClN2O3S.
What is the molecular weight of 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 494.14 g/mol.
Where can I buy 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
You can request a quote for 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.