RefChem:337048
TL;DR: RefChem:337048 (CAS 62675-04-1) is a chemical compound with molecular formula C19H21Cl2NS and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-chloro-3,3-dimethyl-14-thia-3-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene chloride
Also Known As: Dibenzo(2,3:6,7)thiepino(4,5-b)pyridinium, 1,2,3,4,4a,13b-hexahydro-12-chloro-1,1-dimethyl-, chloride, hydrate, 12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium chloride, DIBENZO(2,3:6,7)THIEPINO(4,5-b)PYRIDINIUM, 1,2,3,4,4a,13b-HEXAHYDRO-12-CHLORO-1,, RefChem:337048
| Molecular Formula | C19H21Cl2NS |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 365.07718 |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 62675-04-1 |
|---|---|
| SMILES | C[N+]1(CCCC2C1C3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)C.[Cl-] |
| InChIKey | DNDLACKWEBLFEP-UHFFFAOYSA-M |
Product Overview
RefChem:337048 (CAS 62675-04-1), with molecular formula C19H21Cl2NS and molecular weight 365.08 g/mol. IUPAC: 18-chloro-3,3-dimethyl-14-thia-3-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene chloride.
Chemical Property Profile of RefChem:337048
Property Insights of RefChem:337048
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:337048. With a topological polar surface area (TPSA) of 25.3 Ų, RefChem:337048 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337048 has 0 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 RefChem:337048?
The CAS number of RefChem:337048 is 62675-04-1.
What is the molecular formula of RefChem:337048?
The molecular formula of RefChem:337048 is C19H21Cl2NS.
What is the molecular weight of RefChem:337048?
The molecular weight of RefChem:337048 is 365.08 g/mol.
Where can I buy RefChem:337048?
You can request a quote for RefChem:337048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337048?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.