Sag1.3
TL;DR: Sag1.3 (CAS 364590-63-6) is a chemical compound with molecular formula C28H28ClN3OS and molecular weight 489.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
Also Known As: smoothened agonist, SAG dihydrochloride, (Rac)-SAG, SAG compound, sag (smo-agonist)
| Molecular Formula | C28H28ClN3OS |
|---|---|
| Molecular Weight | 489.16 g/mol |
| LogP | 6.7897 |
| Topological Polar Surface Area | 45.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.16415 |
| Heavy Atoms | 34 |
| Complexity | 1281.3157 |
Chemical Identifiers
| CAS Number | 364590-63-6 |
|---|---|
| SMILES | CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl |
Product Overview
Sag1.3 (CAS 364590-63-6), with molecular formula C28H28ClN3OS and molecular weight 489.16 g/mol. IUPAC: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of Sag1.3
Property Insights of Sag1.3
The XLogP value of 6.7897 indicates that Sag1.3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.23 Ų, Sag1.3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sag1.3 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sag1.3?
The CAS number of Sag1.3 is 364590-63-6.
What is the molecular formula of Sag1.3?
The molecular formula of Sag1.3 is C28H28ClN3OS.
What is the molecular weight of Sag1.3?
The molecular weight of Sag1.3 is 489.16 g/mol.
Where can I buy Sag1.3?
You can request a quote for Sag1.3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sag1.3?
Yes, KEHONG BIO provides custom synthesis services for Sag1.3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.