3-Chloro-4-dimethylaminothioangelicin
TL;DR: 3-Chloro-4-dimethylaminothioangelicin (CAS 90236-91-2) is a chemical compound with molecular formula C13H10ClNO2S and molecular weight 279.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(dimethylamino)thieno[2,3-h]chromen-2-one
Also Known As: CDATA, 3-Chloro-4-dimethylaminothioangelicin, 3-chloro-4-(dimethylamino)thieno[2,3-h]chromen-2-one, 2H-Thieno(2,3-h)-1-benzopyran-2-one, 3-chloro-4-(dimethylamino)-, 2H-Thieno(2,3-h)-1-benzopyran-2-one,3-chloro-4-(dimethylamino)
| Molecular Formula | C13H10ClNO2S |
|---|---|
| Molecular Weight | 279.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.0121 |
| Heavy Atoms | 18 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 90236-91-2 |
|---|---|
| SMILES | CN(C)C1=C(C(=O)OC2=C1C=CC3=C2C=CS3)Cl |
| InChIKey | QTXQUPXOGACDSE-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-dimethylaminothioangelicin (CAS 90236-91-2), with molecular formula C13H10ClNO2S and molecular weight 279.01 g/mol. IUPAC: 3-chloro-4-(dimethylamino)thieno[2,3-h]chromen-2-one.
Chemical Property Profile of 3-Chloro-4-dimethylaminothioangelicin
Property Insights of 3-Chloro-4-dimethylaminothioangelicin
The XLogP value of 3.6 indicates that 3-Chloro-4-dimethylaminothioangelicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, 3-Chloro-4-dimethylaminothioangelicin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-dimethylaminothioangelicin has 0 hydrogen bond donor(s) and 4 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 3-Chloro-4-dimethylaminothioangelicin?
The CAS number of 3-Chloro-4-dimethylaminothioangelicin is 90236-91-2.
What is the molecular formula of 3-Chloro-4-dimethylaminothioangelicin?
The molecular formula of 3-Chloro-4-dimethylaminothioangelicin is C13H10ClNO2S.
What is the molecular weight of 3-Chloro-4-dimethylaminothioangelicin?
The molecular weight of 3-Chloro-4-dimethylaminothioangelicin is 279.01 g/mol.
Where can I buy 3-Chloro-4-dimethylaminothioangelicin?
You can request a quote for 3-Chloro-4-dimethylaminothioangelicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-dimethylaminothioangelicin?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-dimethylaminothioangelicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.