ChemDiv2_003850
TL;DR: ChemDiv2_003850 (CAS 361990-51-4) is a chemical compound with molecular formula C15H19N3OS and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)propanamide
Also Known As: ChemDiv2_003850, IDI1_002565, VU0091821-2, F1142-0389, AS-871/14559085
| Molecular Formula | C15H19N3OS |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.12488 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 361990-51-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=C2C3=C(CCCC3)SC2=NC=N1 |
| InChIKey | ZLYUMQKUBLBDRF-UHFFFAOYSA-N |
Product Overview
ChemDiv2_003850 (CAS 361990-51-4), with molecular formula C15H19N3OS and molecular weight 289.12 g/mol. IUPAC: 2,2-dimethyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)propanamide.
Chemical Property Profile of ChemDiv2_003850
Property Insights of ChemDiv2_003850
The XLogP value of 3.7 indicates that ChemDiv2_003850 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003850. Following Lipinski's Rule of Five, ChemDiv2_003850 has 1 hydrogen bond donor(s) and 4 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 ChemDiv2_003850?
The CAS number of ChemDiv2_003850 is 361990-51-4.
What is the molecular formula of ChemDiv2_003850?
The molecular formula of ChemDiv2_003850 is C15H19N3OS.
What is the molecular weight of ChemDiv2_003850?
The molecular weight of ChemDiv2_003850 is 289.12 g/mol.
Where can I buy ChemDiv2_003850?
You can request a quote for ChemDiv2_003850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003850?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.