RefChem:385058
TL;DR: RefChem:385058 (CAS 97874-41-4) is a chemical compound with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(dimethylamino)methyl]-6H-thieno[3,4-g][1,3]benzodioxol-8-one;hydrochloride
Also Known As: 6-((Dimethylamino)methyl)thieno(3,4-d)-1,3-benzodioxol-8(6H)-one hydrochloride, Thieno(3,4-d)-1,3-benzodioxol-8(6H)-one, 6-((dimethylamino)methyl)-, hydrochloride, 6-(dimethylaminomethyl)-6H-thieno[3,4-g][1,3]benzodioxol-8-one hydrochloride, 6-[(Dimethylamino)methyl]-2H-thieno[3,4-e][1,3]benzodioxol-8(6H)-one--hydrogen chloride (1/1), RefChem:385058
| Molecular Formula | C12H14ClNO3S |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 2.3268 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.0383 |
| Heavy Atoms | 18 |
| Complexity | 492.45602 |
Chemical Identifiers
| CAS Number | 97874-41-4 |
|---|---|
| SMILES | CN(C)CC1C2=C(C3=C(C=C2)OCO3)C(=O)S1.Cl |
Product Overview
RefChem:385058 (CAS 97874-41-4), with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol. IUPAC: 6-[(dimethylamino)methyl]-6H-thieno[3,4-g][1,3]benzodioxol-8-one;hydrochloride.
Chemical Property Profile of RefChem:385058
Property Insights of RefChem:385058
The XLogP value of 2.3268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:385058. With a topological polar surface area (TPSA) of 38.77 Ų, RefChem:385058 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:385058 has 0 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 RefChem:385058?
The CAS number of RefChem:385058 is 97874-41-4.
What is the molecular formula of RefChem:385058?
The molecular formula of RefChem:385058 is C12H14ClNO3S.
What is the molecular weight of RefChem:385058?
The molecular weight of RefChem:385058 is 287.04 g/mol.
Where can I buy RefChem:385058?
You can request a quote for RefChem:385058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:385058?
Yes, KEHONG BIO provides custom synthesis services for RefChem:385058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.