Bmy 14786
TL;DR: Bmy 14786 (CAS 99931-58-5) is a chemical compound with molecular formula C18H21ClF2N4O and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one;hydrochloride
Also Known As: Bmy 14786, SID:134223425, 1-Butanone, 1-(4-fluorophenyl)-4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)-, monohydrochloride, alpha(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine-butanone hydrochloride, 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one;hydrochloride
| Molecular Formula | C18H21ClF2N4O |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 2.9617 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.1372 |
| Heavy Atoms | 26 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 99931-58-5 |
|---|---|
| SMILES | C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=NC=C(C=N3)F.Cl |
| InChIKey | LTVFXGPMWFISAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bmy 14786 (CAS 99931-58-5), with molecular formula C18H21ClF2N4O and molecular weight 382.14 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one;hydrochloride.
Chemical Property Profile of Bmy 14786
Property Insights of Bmy 14786
The XLogP value of 2.9617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bmy 14786. With a topological polar surface area (TPSA) of 49.3 Ų, Bmy 14786 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bmy 14786 has 1 hydrogen bond donor(s) and 7 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 Bmy 14786?
The CAS number of Bmy 14786 is 99931-58-5.
What is the molecular formula of Bmy 14786?
The molecular formula of Bmy 14786 is C18H21ClF2N4O.
What is the molecular weight of Bmy 14786?
The molecular weight of Bmy 14786 is 382.14 g/mol.
Where can I buy Bmy 14786?
You can request a quote for Bmy 14786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bmy 14786?
Yes, KEHONG BIO provides custom synthesis services for Bmy 14786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.