RefChem:827041
TL;DR: RefChem:827041 (CAS 477331-61-6) is a chemical compound with molecular formula C27H28N4O3S2 and molecular weight 520.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(dimethylamino)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: N-(4-(Dimethylamino)phenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-[4-(dimethylamino)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 650-715-2, N-(4-(Dimethylamino)phenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-HE xahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide, N-(4-dimethylaminophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C27H28N4O3S2 |
|---|---|
| Molecular Weight | 520.16 g/mol |
| LogP | 5.1314 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.1603 |
| Heavy Atoms | 36 |
| Complexity | 1457.8981 |
Chemical Identifiers
| CAS Number | 477331-61-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC |
Product Overview
RefChem:827041 (CAS 477331-61-6), with molecular formula C27H28N4O3S2 and molecular weight 520.16 g/mol. IUPAC: N-[4-(dimethylamino)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:827041
Property Insights of RefChem:827041
The XLogP value of 5.1314 indicates that RefChem:827041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:827041. Following Lipinski's Rule of Five, RefChem:827041 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:827041?
The CAS number of RefChem:827041 is 477331-61-6.
What is the molecular formula of RefChem:827041?
The molecular formula of RefChem:827041 is C27H28N4O3S2.
What is the molecular weight of RefChem:827041?
The molecular weight of RefChem:827041 is 520.16 g/mol.
Where can I buy RefChem:827041?
You can request a quote for RefChem:827041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:827041?
Yes, KEHONG BIO provides custom synthesis services for RefChem:827041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.