1H-031
TL;DR: 1H-031 (CAS 321430-77-7) is a chemical compound with molecular formula C12H7ClF3N3S2 and molecular weight 348.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylthieno[2,3-c][1,2]thiazol-4-amine
Also Known As: 1H-031, 5-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-3-methylthieno[2,3-c]isothiazol-4-amine, 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methylthieno[2,3-c][1,2]thiazol-4-amine, 5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-3-methylthieno[2,3-c]isothiazol-4-amine, 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylthieno[2,3-c]isothiazol-4-amine
| Molecular Formula | C12H7ClF3N3S2 |
|---|---|
| Molecular Weight | 348.97 g/mol |
| LogP | 4.98262 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.9722 |
| Heavy Atoms | 21 |
| Complexity | 838.2408 |
Chemical Identifiers
| CAS Number | 321430-77-7 |
|---|---|
| SMILES | CC1=C2C(=C(SC2=NS1)C3=C(C=C(C=N3)C(F)(F)F)Cl)N |
Product Overview
1H-031 (CAS 321430-77-7), with molecular formula C12H7ClF3N3S2 and molecular weight 348.97 g/mol. IUPAC: 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylthieno[2,3-c][1,2]thiazol-4-amine.
Chemical Property Profile of 1H-031
Property Insights of 1H-031
The XLogP value of 4.98262 indicates that 1H-031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 1H-031 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-031 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 1H-031?
The CAS number of 1H-031 is 321430-77-7.
What is the molecular formula of 1H-031?
The molecular formula of 1H-031 is C12H7ClF3N3S2.
What is the molecular weight of 1H-031?
The molecular weight of 1H-031 is 348.97 g/mol.
Where can I buy 1H-031?
You can request a quote for 1H-031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-031?
Yes, KEHONG BIO provides custom synthesis services for 1H-031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.