AB00105019-01
TL;DR: AB00105019-01 (CAS 302825-40-7) is a chemical compound with molecular formula C17H18ClN3O2S and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methylthiourea
Also Known As: AB00105019-01, (2E)-2-[4-(benzyloxy)-3-chloro-5-methoxybenzylidene]-N-methylhydrazinecarbothioamide, 1-[(E)-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methylthiourea
| Molecular Formula | C17H18ClN3O2S |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 3.3554 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.0808 |
| Heavy Atoms | 24 |
| Complexity | 723.27563 |
Chemical Identifiers
| CAS Number | 302825-40-7 |
|---|---|
| SMILES | CNC(=S)N/N=C/C1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC |
Product Overview
AB00105019-01 (CAS 302825-40-7), with molecular formula C17H18ClN3O2S and molecular weight 363.08 g/mol. IUPAC: 1-[(E)-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methylthiourea.
Chemical Property Profile of AB00105019-01
Property Insights of AB00105019-01
The XLogP value of 3.3554 indicates that AB00105019-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00105019-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00105019-01 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 AB00105019-01?
The CAS number of AB00105019-01 is 302825-40-7.
What is the molecular formula of AB00105019-01?
The molecular formula of AB00105019-01 is C17H18ClN3O2S.
What is the molecular weight of AB00105019-01?
The molecular weight of AB00105019-01 is 363.08 g/mol.
Where can I buy AB00105019-01?
You can request a quote for AB00105019-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105019-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105019-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.