BMS-181101 free base
TL;DR: BMS-181101 free base (CAS 141071-67-2) is a chemical compound with molecular formula C20H24FN5O and molecular weight 369.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole
Also Known As: 1H-Indole, BMS-181101 free base, GTPL108, BMS 181,101, BMS 181101
| Molecular Formula | C20H24FN5O |
|---|---|
| Molecular Weight | 369.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.1965 |
| Heavy Atoms | 27 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 141071-67-2 |
|---|---|
| SMILES | COC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)F |
| InChIKey | NRLXAYBZNVHRFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BMS-181101 free base (CAS 141071-67-2), with molecular formula C20H24FN5O and molecular weight 369.20 g/mol. IUPAC: 5-fluoro-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole.
Chemical Property Profile of BMS-181101 free base
Property Insights of BMS-181101 free base
The XLogP value of 3.0 indicates that BMS-181101 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.3 Ų, BMS-181101 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BMS-181101 free base has 1 hydrogen bond donor(s) and 6 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 BMS-181101 free base?
The CAS number of BMS-181101 free base is 141071-67-2.
What is the molecular formula of BMS-181101 free base?
The molecular formula of BMS-181101 free base is C20H24FN5O.
What is the molecular weight of BMS-181101 free base?
The molecular weight of BMS-181101 free base is 369.20 g/mol.
Where can I buy BMS-181101 free base?
You can request a quote for BMS-181101 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BMS-181101 free base?
Yes, KEHONG BIO provides custom synthesis services for BMS-181101 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.