ChemDiv3_001234
TL;DR: ChemDiv3_001234 (CAS 301357-21-1) is a chemical compound with molecular formula C13H14N2O2S2 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid
Also Known As: ChemDiv3_001234, IDI1_020200, (2-Methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetic acid, (2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)acetic acid, BRD-K49875192-001-01-9
| Molecular Formula | C13H14N2O2S2 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 3.05522 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.04968 |
| Heavy Atoms | 19 |
| Complexity | 651.6209 |
Chemical Identifiers
| CAS Number | 301357-21-1 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)O |
Product Overview
ChemDiv3_001234 (CAS 301357-21-1), with molecular formula C13H14N2O2S2 and molecular weight 294.05 g/mol. IUPAC: 2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid.
Chemical Property Profile of ChemDiv3_001234
Property Insights of ChemDiv3_001234
The XLogP value of 3.05522 indicates that ChemDiv3_001234 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001234. Following Lipinski's Rule of Five, ChemDiv3_001234 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 ChemDiv3_001234?
The CAS number of ChemDiv3_001234 is 301357-21-1.
What is the molecular formula of ChemDiv3_001234?
The molecular formula of ChemDiv3_001234 is C13H14N2O2S2.
What is the molecular weight of ChemDiv3_001234?
The molecular weight of ChemDiv3_001234 is 294.05 g/mol.
Where can I buy ChemDiv3_001234?
You can request a quote for ChemDiv3_001234 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001234?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.