ChemDiv3_003223
TL;DR: ChemDiv3_003223 (CAS 70059-69-7) is a chemical compound with molecular formula C16H17N5O2S and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
Also Known As: ChemDiv3_003223, Pyrazole carboxylic ester 11, IDI1_021133, BAS 03374227, J2.142.343B
| Molecular Formula | C16H17N5O2S |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.1103 |
| Heavy Atoms | 24 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 70059-69-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CCCC4)SC3=NC=N2)N |
| InChIKey | PMNXANDYYIYVSN-UHFFFAOYSA-N |
Product Overview
ChemDiv3_003223 (CAS 70059-69-7), with molecular formula C16H17N5O2S and molecular weight 343.11 g/mol. IUPAC: ethyl 5-amino-1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate.
Chemical Property Profile of ChemDiv3_003223
Property Insights of ChemDiv3_003223
The XLogP value of 3.5 indicates that ChemDiv3_003223 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003223. Following Lipinski's Rule of Five, ChemDiv3_003223 has 1 hydrogen bond donor(s) and 7 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 ChemDiv3_003223?
The CAS number of ChemDiv3_003223 is 70059-69-7.
What is the molecular formula of ChemDiv3_003223?
The molecular formula of ChemDiv3_003223 is C16H17N5O2S.
What is the molecular weight of ChemDiv3_003223?
The molecular weight of ChemDiv3_003223 is 343.11 g/mol.
Where can I buy ChemDiv3_003223?
You can request a quote for ChemDiv3_003223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003223?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.