ChemDiv1_006043
TL;DR: ChemDiv1_006043 (CAS 351161-55-2) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_006043, 2-((4-oxo-3-(p-tolyl)-4,5,6,7,8,9-hexahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, 2-{[3-(4-methylphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 3.60192 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 1067.5057 |
Chemical Identifiers
| CAS Number | 351161-55-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N)SC4=C3CCCCC4 |
Product Overview
ChemDiv1_006043 (CAS 351161-55-2), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_006043
Property Insights of ChemDiv1_006043
The XLogP value of 3.60192 indicates that ChemDiv1_006043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006043. Following Lipinski's Rule of Five, ChemDiv1_006043 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006043?
The CAS number of ChemDiv1_006043 is 351161-55-2.
What is the molecular formula of ChemDiv1_006043?
The molecular formula of ChemDiv1_006043 is C20H21N3O2S2.
What is the molecular weight of ChemDiv1_006043?
The molecular weight of ChemDiv1_006043 is 399.11 g/mol.
Where can I buy ChemDiv1_006043?
You can request a quote for ChemDiv1_006043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006043?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.