C27H26N4O2S3
TL;DR: C27H26N4O2S3 (CAS 497166-76-4) is a chemical compound with molecular formula C27H26N4O2S3 and molecular weight 534.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
Also Known As: 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide, 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-{(Z)-[4-(methylsulfanyl)phenyl]methylidene}acetohydrazide, N-[(1Z)-2-(4-methylthiophenyl)-1-azavinyl]-2-[3-(4-methylphenyl)-4-oxo(3,5,6,7 ,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide, C27H26N4O2S3
| Molecular Formula | C27H26N4O2S3 |
|---|---|
| Molecular Weight | 534.12 g/mol |
| LogP | 5.59872 |
| Topological Polar Surface Area | 76.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.12177 |
| Heavy Atoms | 36 |
| Complexity | 1488.975 |
Chemical Identifiers
| CAS Number | 497166-76-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N/N=C\C4=CC=C(C=C4)SC)SC5=C3CCCC5 |
Product Overview
C27H26N4O2S3 (CAS 497166-76-4), with molecular formula C27H26N4O2S3 and molecular weight 534.12 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide.
Chemical Property Profile of C27H26N4O2S3
Property Insights of C27H26N4O2S3
The XLogP value of 5.59872 indicates that C27H26N4O2S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.35 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H26N4O2S3. Following Lipinski's Rule of Five, C27H26N4O2S3 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 C27H26N4O2S3?
The CAS number of C27H26N4O2S3 is 497166-76-4.
What is the molecular formula of C27H26N4O2S3?
The molecular formula of C27H26N4O2S3 is C27H26N4O2S3.
What is the molecular weight of C27H26N4O2S3?
The molecular weight of C27H26N4O2S3 is 534.12 g/mol.
Where can I buy C27H26N4O2S3?
You can request a quote for C27H26N4O2S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H26N4O2S3?
Yes, KEHONG BIO provides custom synthesis services for C27H26N4O2S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.