Bms 181101
TL;DR: Bms 181101 (CAS 146479-45-0) is a chemical compound with molecular formula C20H26Cl2FN5O and molecular weight 441.15 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;dihydrochloride
Also Known As: BMS-181101 DIHYDROCHLORIDE, BMS 181,101, SID:53787437, 1H-Indole, 5-fluoro-3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-, dihydrochloride, 5-fluoro-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride
| Molecular Formula | C20H26Cl2FN5O |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 3.704 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.14984 |
| Heavy Atoms | 29 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 146479-45-0 |
|---|---|
| SMILES | COC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)F.Cl.Cl |
| InChIKey | FSZXJSRMZRCZOD-UHFFFAOYSA-N |
Product Overview
Bms 181101 (CAS 146479-45-0), with molecular formula C20H26Cl2FN5O and molecular weight 441.15 g/mol. IUPAC: 5-fluoro-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride.
Chemical Property Profile of Bms 181101
Property Insights of Bms 181101
The XLogP value of 3.704 indicates that Bms 181101 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bms 181101 has 3 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?
The CAS number of Bms 181101 is 146479-45-0.
What is the molecular formula of Bms 181101?
The molecular formula of Bms 181101 is C20H26Cl2FN5O.
What is the molecular weight of Bms 181101?
The molecular weight of Bms 181101 is 441.15 g/mol.
Where can I buy Bms 181101?
You can request a quote for Bms 181101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bms 181101?
Yes, KEHONG BIO provides custom synthesis services for Bms 181101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.