C17H18BrNS2.ClH
TL;DR: C17H18BrNS2.ClH (CAS 15137-26-5) is a chemical compound with molecular formula C17H19BrClNS2 and molecular weight 414.9831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-(8-bromo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Also Known As: 6-Bromo-4-(3-dimethylaminopropylidene)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin hydrochloride, Thieno(2,3-c)(2)benzothiepin-delta(sup 4(9H),gamma)-propylamine, 6-bromo-N,N-dimethyl-, hydrochloride, (3E)-3-(8-bromo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethylpropan-1-amine hydrochloride
Technical Specifications
| Molecular Formula | C17H19BrClNS2 |
| Molecular Weight | 414.9831 g/mol |
| XLogP | 5.9215 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.9831 Da |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
| SMILES | CN(C)CC/C=C\1/C2=C(SCC3=C1C=C(C=C3)Br)SC=C2.Cl |
| InChIKey | VLRNFJGEHRIIAT-CYBPKNTASA-N |
Chemical Property Profile of C17H18BrNS2.ClH
Property Insights of C17H18BrNS2.ClH
The XLogP value of 5.9215 indicates that C17H18BrNS2.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, C17H18BrNS2.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H18BrNS2.ClH has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C17H18BrNS2.ClH?
The CAS number of C17H18BrNS2.ClH is 15137-26-5.
What is the molecular formula of C17H18BrNS2.ClH?
The molecular formula of C17H18BrNS2.ClH is C17H19BrClNS2.
What is the molecular weight of C17H18BrNS2.ClH?
The molecular weight of C17H18BrNS2.ClH is 414.9831 g/mol.
Where can I buy C17H18BrNS2.ClH?
You can request a quote for C17H18BrNS2.ClH directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C17H18BrNS2.ClH?
Yes, CoreyChem provides custom synthesis services for C17H18BrNS2.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.