ADR-851 free base
TL;DR: ADR-851 free base (CAS 138559-56-5) is a chemical compound with molecular formula C14H18ClN3O2 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
Also Known As: ADR-851 free base, Adr 851, ADR 851 (free base), 7-Benzofurancarboxamide, 4-amino-5-chloro-2,3-dihydro-N-(2-pyrrolidinylmethyl)-, (S)-, 4-amino-5-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
| Molecular Formula | C14H18ClN3O2 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.10876 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 138559-56-5 |
|---|---|
| SMILES | C1C[C@H](NC1)CNC(=O)C2=CC(=C(C3=C2OCC3)N)Cl |
| InChIKey | MPECLPSCJHXWNO-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ADR-851 free base (CAS 138559-56-5), with molecular formula C14H18ClN3O2 and molecular weight 295.11 g/mol. IUPAC: 4-amino-5-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
Chemical Property Profile of ADR-851 free base
Property Insights of ADR-851 free base
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ADR-851 free base. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ADR-851 free base. Following Lipinski's Rule of Five, ADR-851 free base has 3 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 ADR-851 free base?
The CAS number of ADR-851 free base is 138559-56-5.
What is the molecular formula of ADR-851 free base?
The molecular formula of ADR-851 free base is C14H18ClN3O2.
What is the molecular weight of ADR-851 free base?
The molecular weight of ADR-851 free base is 295.11 g/mol.
Where can I buy ADR-851 free base?
You can request a quote for ADR-851 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ADR-851 free base?
Yes, KEHONG BIO provides custom synthesis services for ADR-851 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.