RefChem:236250
TL;DR: RefChem:236250 (CAS 83986-10-1) is a chemical compound with molecular formula C21H24ClNO5S and molecular weight 437.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(8-chloro-6-methylbenzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: 2-Chloro-N,N,11-trimethyl-11H-dibenz(b,e)(1,4)oxathiepin-11-propanamine oxalate, 11H-Dibenz(b,e)(1,4)oxathiepin-11-propanamine, 2-chloro-N,N,11-trimethyl-, ethanedioate (1:1), 8-Chloro-6-methyl-6-(3-dimethylaminopropyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate, 3-(8-chloro-6-methylbenzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethylazanium; 2-hydroxy-2-oxoacetate, 11H-DIBENZ(b,e)(1,4)OXATHIEPIN-11-PROPANAMINE, 2-CHLORO-N,N,11-TRIMETHYL-, ETHAN
| Molecular Formula | C21H24ClNO5S |
|---|---|
| Molecular Weight | 437.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.10638 |
| Heavy Atoms | 29 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 83986-10-1 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3S1)CCC[NH+](C)C.C(=O)(C(=O)[O-])O |
| InChIKey | BJFROJDRJPMFOS-UHFFFAOYSA-N |
Product Overview
RefChem:236250 (CAS 83986-10-1), with molecular formula C21H24ClNO5S and molecular weight 437.11 g/mol. IUPAC: 3-(8-chloro-6-methylbenzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:236250
Property Insights of RefChem:236250
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:236250. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236250. Following Lipinski's Rule of Five, RefChem:236250 has 2 hydrogen bond donor(s) and 6 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:236250?
The CAS number of RefChem:236250 is 83986-10-1.
What is the molecular formula of RefChem:236250?
The molecular formula of RefChem:236250 is C21H24ClNO5S.
What is the molecular weight of RefChem:236250?
The molecular weight of RefChem:236250 is 437.11 g/mol.
Where can I buy RefChem:236250?
You can request a quote for RefChem:236250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236250?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.