SDZ-87-469
TL;DR: SDZ-87-469 (CAS 87906-31-8) is a chemical compound with molecular formula C19H22ClNS and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(3-chloro-1-benzothiophen-7-yl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine
Also Known As: SDZ-87-469, (2E)-6,6,N-Trimethyl-N-(3-chloro-1-benzothiophen-7-ylmethyl)-2-hepten-4-yn-1-amine, (E)-N-[(3-chloro-1-benzothiophen-7-yl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine, (E)-N-[(3-chlorobenzothiophen-7-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine, [(3-chloro-1-benzothiophen-7-yl)methyl][(2E)-6,6-dimethylhept-2-en-4-yn-1-yl]methylamine
| Molecular Formula | C19H22ClNS |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 5.5922 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.11615 |
| Heavy Atoms | 22 |
| Complexity | 725.1987 |
Chemical Identifiers
| CAS Number | 87906-31-8 |
|---|---|
| SMILES | CC(C)(C)C#C/C=C/CN(C)CC1=C2C(=CC=C1)C(=CS2)Cl |
Product Overview
SDZ-87-469 (CAS 87906-31-8), with molecular formula C19H22ClNS and molecular weight 331.12 g/mol. IUPAC: (E)-N-[(3-chloro-1-benzothiophen-7-yl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine.
Chemical Property Profile of SDZ-87-469
Property Insights of SDZ-87-469
The XLogP value of 5.5922 indicates that SDZ-87-469 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, SDZ-87-469 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SDZ-87-469 has 0 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 SDZ-87-469?
The CAS number of SDZ-87-469 is 87906-31-8.
What is the molecular formula of SDZ-87-469?
The molecular formula of SDZ-87-469 is C19H22ClNS.
What is the molecular weight of SDZ-87-469?
The molecular weight of SDZ-87-469 is 331.12 g/mol.
Where can I buy SDZ-87-469?
You can request a quote for SDZ-87-469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SDZ-87-469?
Yes, KEHONG BIO provides custom synthesis services for SDZ-87-469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.