Btm 1086
TL;DR: Btm 1086 (CAS 72293-40-4) is a chemical compound with molecular formula C21H26ClN3OS and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrochloride
Also Known As: BTM 1042 hydrochloride, Btm 1086, Btm 1042, 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-((4-methyl-1-piperazinyl)methyl)-2-phenyl-, monohydrochloride, cis-(-)-, (2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrochloride
| Molecular Formula | C21H26ClN3OS |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 3.7575 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.1485 |
| Heavy Atoms | 27 |
| Complexity | 765.03186 |
Chemical Identifiers
| CAS Number | 72293-40-4 |
|---|---|
| SMILES | CN1CCN(CC1)C[C@@H]2[C@@H](SC3=CC=CC=C3NC2=O)C4=CC=CC=C4.Cl |
Product Overview
Btm 1086 (CAS 72293-40-4), with molecular formula C21H26ClN3OS and molecular weight 403.15 g/mol. IUPAC: (2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrochloride.
Chemical Property Profile of Btm 1086
Property Insights of Btm 1086
The XLogP value of 3.7575 indicates that Btm 1086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, Btm 1086 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Btm 1086 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 Btm 1086?
The CAS number of Btm 1086 is 72293-40-4.
What is the molecular formula of Btm 1086?
The molecular formula of Btm 1086 is C21H26ClN3OS.
What is the molecular weight of Btm 1086?
The molecular weight of Btm 1086 is 403.15 g/mol.
Where can I buy Btm 1086?
You can request a quote for Btm 1086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Btm 1086?
Yes, KEHONG BIO provides custom synthesis services for Btm 1086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.