烟酰氯盐酸盐
TL;DR: 烟酰氯盐酸盐 (CAS 20260-53-1) is a chemical compound with molecular formula C6H5Cl2NO and molecular weight 176.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酰氯盐酸盐
pyridine-3-carbonyl chloride;hydrochloride
Also Known As: Nicotinoyl chloride hydrochloride, nicotinoyl chloride HCl, Nicotinoyl chloride, TOLMETINSODIUM, Nicotinoyl chloride, hydrochloride
| Molecular Formula | C6H5Cl2NO |
|---|---|
| Molecular Weight | 176.97 g/mol |
| LogP | 1.88 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.97482 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 20260-53-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)Cl.Cl |
| InChIKey | MSYBLBLAMDYKKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
烟酰氯盐酸盐 (CAS 20260-53-1), with molecular formula C6H5Cl2NO and molecular weight 176.97 g/mol. IUPAC: pyridine-3-carbonyl chloride;hydrochloride.
Chemical Property Profile of 烟酰氯盐酸盐
Property Insights of 烟酰氯盐酸盐
The XLogP value of 1.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烟酰氯盐酸盐. With a topological polar surface area (TPSA) of 30.0 Ų, 烟酰氯盐酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烟酰氯盐酸盐 has 1 hydrogen bond donor(s) and 2 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 烟酰氯盐酸盐?
The CAS number of 烟酰氯盐酸盐 is 20260-53-1.
What is the molecular formula of 烟酰氯盐酸盐?
The molecular formula of 烟酰氯盐酸盐 is C6H5Cl2NO.
What is the molecular weight of 烟酰氯盐酸盐?
The molecular weight of 烟酰氯盐酸盐 is 176.97 g/mol.
Where can I buy 烟酰氯盐酸盐?
You can request a quote for 烟酰氯盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酰氯盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 烟酰氯盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.