18-Methyl-estrone
TL;DR: 18-Methyl-estrone (CAS 6544-68-9) is a chemical compound with molecular formula C13H8Cl2N2O2S2 and molecular weight 357.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dichloro-3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
Also Known As: 18-Methyl-estrone, 18a-methylestrone, 5-(5,7-dichloro-2-oxo-1H-indol-3-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one, 5,7-dichloro-3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one, (5E)-5-(5,7-dichloro-2-oxo-1H-indol-3-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C13H8Cl2N2O2S2 |
|---|---|
| Molecular Weight | 357.94 g/mol |
| LogP | 2.67019 |
| Topological Polar Surface Area | 54.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.94043 |
| Heavy Atoms | 21 |
| Complexity | 959.7716 |
Chemical Identifiers
| CAS Number | 6544-68-9 |
|---|---|
| SMILES | CCN1C(=C(SC1=S)C2=C3C=C(C=C(C3=NC2=O)Cl)Cl)O |
Product Overview
18-Methyl-estrone (CAS 6544-68-9), with molecular formula C13H8Cl2N2O2S2 and molecular weight 357.94 g/mol. IUPAC: 5,7-dichloro-3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.
Chemical Property Profile of 18-Methyl-estrone
Property Insights of 18-Methyl-estrone
The XLogP value of 2.67019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 18-Methyl-estrone. With a topological polar surface area (TPSA) of 54.59 Ų, 18-Methyl-estrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 18-Methyl-estrone has 1 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 18-Methyl-estrone?
The CAS number of 18-Methyl-estrone is 6544-68-9.
What is the molecular formula of 18-Methyl-estrone?
The molecular formula of 18-Methyl-estrone is C13H8Cl2N2O2S2.
What is the molecular weight of 18-Methyl-estrone?
The molecular weight of 18-Methyl-estrone is 357.94 g/mol.
Where can I buy 18-Methyl-estrone?
You can request a quote for 18-Methyl-estrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18-Methyl-estrone?
Yes, KEHONG BIO provides custom synthesis services for 18-Methyl-estrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.