RefChem:823869
TL;DR: RefChem:823869 (CAS 477330-62-4) is a chemical compound with molecular formula C27H27N3O3S2 and molecular weight 505.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dimethylphenyl)-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-(2,3-Dimethylphenyl)-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-(2,3-dimethylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 650-512-9, N-(2,3-Dimethylphenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide, N-(2,3-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C27H27N3O3S2 |
|---|---|
| Molecular Weight | 505.15 g/mol |
| LogP | 5.68224 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.14938 |
| Heavy Atoms | 35 |
| Complexity | 1472.0459 |
Chemical Identifiers
| CAS Number | 477330-62-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC)C |
Product Overview
RefChem:823869 (CAS 477330-62-4), with molecular formula C27H27N3O3S2 and molecular weight 505.15 g/mol. IUPAC: N-(2,3-dimethylphenyl)-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:823869
Property Insights of RefChem:823869
The XLogP value of 5.68224 indicates that RefChem:823869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:823869. Following Lipinski's Rule of Five, RefChem:823869 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 RefChem:823869?
The CAS number of RefChem:823869 is 477330-62-4.
What is the molecular formula of RefChem:823869?
The molecular formula of RefChem:823869 is C27H27N3O3S2.
What is the molecular weight of RefChem:823869?
The molecular weight of RefChem:823869 is 505.15 g/mol.
Where can I buy RefChem:823869?
You can request a quote for RefChem:823869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:823869?
Yes, KEHONG BIO provides custom synthesis services for RefChem:823869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.