ChemDiv1_005300
TL;DR: ChemDiv1_005300 (CAS 361990-24-1) is a chemical compound with molecular formula C19H18ClN3O2S and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)acetamide
Also Known As: ChemDiv1_005300, F0913-0547, 2-(4-chloro-2-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)acetamide, 2-(4-chloro-2-methylphenoxy)-N-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)acetamide, 2-(4-chloro-2-methylphenoxy)-N-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}acetamide
| Molecular Formula | C19H18ClN3O2S |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 4.54942 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.0808 |
| Heavy Atoms | 26 |
| Complexity | 986.3198 |
Chemical Identifiers
| CAS Number | 361990-24-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=C3C4=C(CCCC4)SC3=NC=N2 |
Product Overview
ChemDiv1_005300 (CAS 361990-24-1), with molecular formula C19H18ClN3O2S and molecular weight 387.08 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)acetamide.
Chemical Property Profile of ChemDiv1_005300
Property Insights of ChemDiv1_005300
The XLogP value of 4.54942 indicates that ChemDiv1_005300 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005300. Following Lipinski's Rule of Five, ChemDiv1_005300 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_005300?
The CAS number of ChemDiv1_005300 is 361990-24-1.
What is the molecular formula of ChemDiv1_005300?
The molecular formula of ChemDiv1_005300 is C19H18ClN3O2S.
What is the molecular weight of ChemDiv1_005300?
The molecular weight of ChemDiv1_005300 is 387.08 g/mol.
Where can I buy ChemDiv1_005300?
You can request a quote for ChemDiv1_005300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005300?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.