ChemDiv1_011530
TL;DR: ChemDiv1_011530 (CAS 312282-00-1) is a chemical compound with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide
Also Known As: ChemDiv1_011530, A1770/0075031, N-(2-ISOPROPOXYPHENYL)-2-[(3-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE, 2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(propan-2-yloxy)phenyl]acetamide, 2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide
| Molecular Formula | C22H25N3O3S2 |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 4.3918 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.13373 |
| Heavy Atoms | 30 |
| Complexity | 1150.4707 |
Chemical Identifiers
| CAS Number | 312282-00-1 |
|---|---|
| SMILES | CC(C)OC1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C |
Product Overview
ChemDiv1_011530 (CAS 312282-00-1), with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol. IUPAC: 2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide.
Chemical Property Profile of ChemDiv1_011530
Property Insights of ChemDiv1_011530
The XLogP value of 4.3918 indicates that ChemDiv1_011530 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 ChemDiv1_011530. Following Lipinski's Rule of Five, ChemDiv1_011530 has 1 hydrogen bond donor(s) and 6 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_011530?
The CAS number of ChemDiv1_011530 is 312282-00-1.
What is the molecular formula of ChemDiv1_011530?
The molecular formula of ChemDiv1_011530 is C22H25N3O3S2.
What is the molecular weight of ChemDiv1_011530?
The molecular weight of ChemDiv1_011530 is 443.13 g/mol.
Where can I buy ChemDiv1_011530?
You can request a quote for ChemDiv1_011530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011530?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.