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3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one
TL;DR: 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one (CAS 22258-65-7) is a chemical compound with molecular formula C14H12N2OS and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(anilinomethyl)-1,3-benzothiazol-2-one
Also Known As: N-Anilinomethyl-benzthiazolon, 3-(anilinomethyl)-1,3-benzothiazol-2-one, 3-[(phenylamino)methyl]-1,3-benzothiazol-2(3h)-one, 3-[Phenylaminomethyl]benzothiazol-2(3H)-one, 2(3H)-Benzothiazolone,3-[(phenylamino)methyl]-
| Molecular Formula | C14H12N2OS |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.06705 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 22258-65-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCN2C3=CC=CC=C3SC2=O |
| InChIKey | CUPKRXVVSOYRGV-UHFFFAOYSA-N |
Product Overview
3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one (CAS 22258-65-7), with molecular formula C14H12N2OS and molecular weight 256.07 g/mol. IUPAC: 3-(anilinomethyl)-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one
Property Insights of 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one
The XLogP value of 3.8 indicates that 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one has 1 hydrogen bond donor(s) and 3 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 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one?
The CAS number of 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one is 22258-65-7.
What is the molecular formula of 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one?
The molecular formula of 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one is C14H12N2OS.
What is the molecular weight of 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one?
The molecular weight of 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one is 256.07 g/mol.
Where can I buy 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one?
You can request a quote for 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Phenylamino)methyl]-1,3-benzothiazol-2(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.