2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide
TL;DR: 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide (CAS 85678-86-0) is a chemical compound with molecular formula C14H10ClN3O2S and molecular weight 319.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
Also Known As: AO-095/40048021, 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide, 2-chloro-N-(6-methoxybenzo[d]thiazol-2-yl)nicotinamide, 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
| Molecular Formula | C14H10ClN3O2S |
|---|---|
| Molecular Weight | 319.02 g/mol |
| LogP | 3.6056 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.01822 |
| Heavy Atoms | 21 |
| Complexity | 818.8393 |
Chemical Identifiers
| CAS Number | 85678-86-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)Cl |
Product Overview
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide (CAS 85678-86-0), with molecular formula C14H10ClN3O2S and molecular weight 319.02 g/mol. IUPAC: 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
Chemical Property Profile of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide
Property Insights of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide
The XLogP value of 3.6056 indicates that 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide. Following Lipinski's Rule of Five, 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide 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 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide?
The CAS number of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide is 85678-86-0.
What is the molecular formula of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide?
The molecular formula of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide is C14H10ClN3O2S.
What is the molecular weight of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide?
The molecular weight of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide is 319.02 g/mol.
Where can I buy 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide?
You can request a quote for 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.