![(2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide structure](/static/products/6918/691846-96-5.webp)
(2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide
TL;DR: (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide (CAS 691846-96-5) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide
Also Known As: NCI60_037031, Pyrazine-2-carbothioic acid S-phenyl ester, (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide, N-[4-(Benzothiazole-2-yl)phenyl]alaninamide, J1.705.477E
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.249 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 744.57623 |
Chemical Identifiers
| CAS Number | 691846-96-5 |
|---|---|
| SMILES | C[C@@H](C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N |
Product Overview
(2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide (CAS 691846-96-5), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide.
Chemical Property Profile of (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide
Property Insights of (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide
The XLogP value of 3.249 indicates that (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide. Following Lipinski's Rule of Five, (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide has 2 hydrogen bond donor(s) and 4 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 (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide?
The CAS number of (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide is 691846-96-5.
What is the molecular formula of (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide?
The molecular formula of (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide is C16H15N3OS.
What is the molecular weight of (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide?
The molecular weight of (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide is 297.09 g/mol.
Where can I buy (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide?
You can request a quote for (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.