ChemDiv1_012454
TL;DR: ChemDiv1_012454 (CAS 362501-82-4) is a chemical compound with molecular formula C22H18N4O3S3 and molecular weight 482.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_012454, N-(benzo[d]thiazol-2-yl)-2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(1,3-benzothiazol-2-yl)-2-{[3-(2-methoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(1,3-benzothiazol-2-yl)-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide, F0513-0319
| Molecular Formula | C22H18N4O3S3 |
|---|---|
| Molecular Weight | 482.05 g/mol |
| LogP | 4.2298 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.0541 |
| Heavy Atoms | 32 |
| Complexity | 1349.6064 |
Chemical Identifiers
| CAS Number | 362501-82-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
ChemDiv1_012454 (CAS 362501-82-4), with molecular formula C22H18N4O3S3 and molecular weight 482.05 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_012454
Property Insights of ChemDiv1_012454
The XLogP value of 4.2298 indicates that ChemDiv1_012454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012454. Following Lipinski's Rule of Five, ChemDiv1_012454 has 1 hydrogen bond donor(s) and 8 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_012454?
The CAS number of ChemDiv1_012454 is 362501-82-4.
What is the molecular formula of ChemDiv1_012454?
The molecular formula of ChemDiv1_012454 is C22H18N4O3S3.
What is the molecular weight of ChemDiv1_012454?
The molecular weight of ChemDiv1_012454 is 482.05 g/mol.
Where can I buy ChemDiv1_012454?
You can request a quote for ChemDiv1_012454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012454?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.