BAS 00334617
TL;DR: BAS 00334617 (CAS 297762-80-2) is a chemical compound with molecular formula C23H28BrN3S and molecular weight 457.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
Also Known As: BAS 00334617, 7-[(4-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide, 7-(4-bromobenzyl)-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide, (1R,5S)-7-(4-bromobenzyl)-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide, {7-[(4-bromophenyl)methyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]non-3-yl}(pheny lamino)methane-1-thione
| Molecular Formula | C23H28BrN3S |
|---|---|
| Molecular Weight | 457.12 g/mol |
| LogP | 5.38 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.11874 |
| Heavy Atoms | 28 |
| Complexity | 820.6857 |
Chemical Identifiers
| CAS Number | 297762-80-2 |
|---|---|
| SMILES | CC12CC(CN(C1)CC3=CC=C(C=C3)Br)(CN(C2)C(=S)NC4=CC=CC=C4)C |
Product Overview
BAS 00334617 (CAS 297762-80-2), with molecular formula C23H28BrN3S and molecular weight 457.12 g/mol. IUPAC: 7-[(4-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide.
Chemical Property Profile of BAS 00334617
Property Insights of BAS 00334617
The XLogP value of 5.38 indicates that BAS 00334617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, BAS 00334617 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00334617 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00334617?
The CAS number of BAS 00334617 is 297762-80-2.
What is the molecular formula of BAS 00334617?
The molecular formula of BAS 00334617 is C23H28BrN3S.
What is the molecular weight of BAS 00334617?
The molecular weight of BAS 00334617 is 457.12 g/mol.
Where can I buy BAS 00334617?
You can request a quote for BAS 00334617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00334617?
Yes, KEHONG BIO provides custom synthesis services for BAS 00334617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.