AB00106539-01
TL;DR: AB00106539-01 (CAS 6380-40-1) is a chemical compound with molecular formula C12H11ClN2O3S and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: AB00106539-01, (5Z)-5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one, (5Z)-5-(3-chloro-4,5-dimethoxybenzylidene)-2-thioxoimidazolidin-4-one, 5-(3-chloro-4,5-dimethoxybenzylidene)-2-thioxo-4-imidazolidinone, 5-[(Z)-1-(3-CHLORO-4,5-DIMETHOXYPHENYL)METHYLIDENE]-2-THIOXODIHYDRO-1H-IMIDAZOL-4-ONE
| Molecular Formula | C12H11ClN2O3S |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 1.7024 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.01788 |
| Heavy Atoms | 19 |
| Complexity | 586.5824 |
Chemical Identifiers
| CAS Number | 6380-40-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=S)N2)Cl)OC |
Product Overview
AB00106539-01 (CAS 6380-40-1), with molecular formula C12H11ClN2O3S and molecular weight 298.02 g/mol. IUPAC: (5Z)-5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of AB00106539-01
Property Insights of AB00106539-01
The XLogP value of 1.7024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00106539-01. With a topological polar surface area (TPSA) of 59.59 Ų, AB00106539-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00106539-01 has 2 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 AB00106539-01?
The CAS number of AB00106539-01 is 6380-40-1.
What is the molecular formula of AB00106539-01?
The molecular formula of AB00106539-01 is C12H11ClN2O3S.
What is the molecular weight of AB00106539-01?
The molecular weight of AB00106539-01 is 298.02 g/mol.
Where can I buy AB00106539-01?
You can request a quote for AB00106539-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106539-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106539-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.