ChemDiv3_009523
TL;DR: ChemDiv3_009523 (CAS 862974-51-4) is a chemical compound with molecular formula C16H14FN3OS2 and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
Also Known As: ChemDiv3_009523, IDI1_027433, AB00670822-01, F0646-1584, BRD-K75497854-001-01-8
| Molecular Formula | C16H14FN3OS2 |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 4.7906 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.05624 |
| Heavy Atoms | 23 |
| Complexity | 928.6982 |
Chemical Identifiers
| CAS Number | 862974-51-4 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC3=NC4=C(C=CC=C4S3)F)C |
Product Overview
ChemDiv3_009523 (CAS 862974-51-4), with molecular formula C16H14FN3OS2 and molecular weight 347.06 g/mol. IUPAC: 2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
Chemical Property Profile of ChemDiv3_009523
Property Insights of ChemDiv3_009523
The XLogP value of 4.7906 indicates that ChemDiv3_009523 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, ChemDiv3_009523 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_009523 has 1 hydrogen bond donor(s) and 6 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_009523?
The CAS number of ChemDiv3_009523 is 862974-51-4.
What is the molecular formula of ChemDiv3_009523?
The molecular formula of ChemDiv3_009523 is C16H14FN3OS2.
What is the molecular weight of ChemDiv3_009523?
The molecular weight of ChemDiv3_009523 is 347.06 g/mol.
Where can I buy ChemDiv3_009523?
You can request a quote for ChemDiv3_009523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009523?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.