Btm 1042
TL;DR: Btm 1042 (CAS 72293-17-5) is a chemical compound with molecular formula C21H27Cl2N3OS and molecular weight 439.13 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;dihydrochloride
Also Known As: Btm 1042, Btm 1018, Btm 1041, Btm 1086, KST-1A9033
| Molecular Formula | C21H27Cl2N3OS |
|---|---|
| Molecular Weight | 439.13 g/mol |
| LogP | 4.1793 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.12518 |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 72293-17-5 |
|---|---|
| SMILES | CN1CCN(CC1)C[C@@H]2[C@@H](SC3=CC=CC=C3NC2=O)C4=CC=CC=C4.Cl.Cl |
| InChIKey | YRHGKQWXSOSAQX-KJHBKDRRSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Btm 1042 (CAS 72293-17-5), with molecular formula C21H27Cl2N3OS and molecular weight 439.13 g/mol. IUPAC: (2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one;dihydrochloride.
Chemical Property Profile of Btm 1042
Property Insights of Btm 1042
The XLogP value of 4.1793 indicates that Btm 1042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Btm 1042. Following Lipinski's Rule of Five, Btm 1042 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 Btm 1042?
The CAS number of Btm 1042 is 72293-17-5.
What is the molecular formula of Btm 1042?
The molecular formula of Btm 1042 is C21H27Cl2N3OS.
What is the molecular weight of Btm 1042?
The molecular weight of Btm 1042 is 439.13 g/mol.
Where can I buy Btm 1042?
You can request a quote for Btm 1042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Btm 1042?
Yes, KEHONG BIO provides custom synthesis services for Btm 1042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.