AN-329/42795109
TL;DR: AN-329/42795109 (CAS 817188-74-2) is a chemical compound with molecular formula C17H19ClN2O2S2 and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[ethyl(oxolan-2-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: AN-329/42795109, 3-chloro-N-[ethyl(oxolan-2-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-[ethyl(tetrahydrofuran-2-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-{[ethyl(tetrahydro-2-furanylmethyl)amino]carbonothioyl}-1-benzothiophene-2-carboxamide, N'-[(3-chloro-1-benzothien-2-yl)carbonyl]-N-ethyl-N-(tetrahydro-2-furanylmethyl)thiourea
| Molecular Formula | C17H19ClN2O2S2 |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | 4.0703 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.05765 |
| Heavy Atoms | 24 |
| Complexity | 756.12854 |
Chemical Identifiers
| CAS Number | 817188-74-2 |
|---|---|
| SMILES | CCN(CC1CCCO1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
AN-329/42795109 (CAS 817188-74-2), with molecular formula C17H19ClN2O2S2 and molecular weight 382.06 g/mol. IUPAC: 3-chloro-N-[ethyl(oxolan-2-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of AN-329/42795109
Property Insights of AN-329/42795109
The XLogP value of 4.0703 indicates that AN-329/42795109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, AN-329/42795109 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-329/42795109 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 AN-329/42795109?
The CAS number of AN-329/42795109 is 817188-74-2.
What is the molecular formula of AN-329/42795109?
The molecular formula of AN-329/42795109 is C17H19ClN2O2S2.
What is the molecular weight of AN-329/42795109?
The molecular weight of AN-329/42795109 is 382.06 g/mol.
Where can I buy AN-329/42795109?
You can request a quote for AN-329/42795109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42795109?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42795109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.