(-)-BTS-79018
TL;DR: (-)-BTS-79018 (CAS 246517-66-8) is a chemical compound with molecular formula C22H27ClN2O3 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-[1-(2-methoxyphenyl)piperidin-4-yl]methanamine
Also Known As: (-)-BTS-79018, BTS 79018, BTS 79 018, BTS-79 018, J1.175.007I
| Molecular Formula | C22H27ClN2O3 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 3.9946 |
| Topological Polar Surface Area | 42.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.17102 |
| Heavy Atoms | 28 |
| Complexity | 793.1014 |
Chemical Identifiers
| CAS Number | 246517-66-8 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCC(CC2)CNC[C@H]3COC4=C(O3)C=C(C=C4)Cl |
Product Overview
(-)-BTS-79018 (CAS 246517-66-8), with molecular formula C22H27ClN2O3 and molecular weight 402.17 g/mol. IUPAC: N-[[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-[1-(2-methoxyphenyl)piperidin-4-yl]methanamine.
Chemical Property Profile of (-)-BTS-79018
Property Insights of (-)-BTS-79018
The XLogP value of 3.9946 indicates that (-)-BTS-79018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.96 Ų, (-)-BTS-79018 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-BTS-79018 has 1 hydrogen bond donor(s) and 5 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 (-)-BTS-79018?
The CAS number of (-)-BTS-79018 is 246517-66-8.
What is the molecular formula of (-)-BTS-79018?
The molecular formula of (-)-BTS-79018 is C22H27ClN2O3.
What is the molecular weight of (-)-BTS-79018?
The molecular weight of (-)-BTS-79018 is 402.17 g/mol.
Where can I buy (-)-BTS-79018?
You can request a quote for (-)-BTS-79018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-BTS-79018?
Yes, KEHONG BIO provides custom synthesis services for (-)-BTS-79018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.