Sch 40853
TL;DR: Sch 40853 (CAS 129672-23-7) is a chemical compound with molecular formula C18H18ClNO and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,13bS)-11-chloro-6,6a,7,8,9,13b-hexahydro-5H-naphtho[1,2-a][3]benzazepin-12-ol
Also Known As: N-Desmethyl Ecopipam, Sch 40853, (6aR,13bS)-11-chloro-6,6a,7,8,9,13b-hexahydro-5H-naphtho[1,2-a][3]benzazepin-12-ol, 11-Chloro-6,6a,7,8,9,13b-hexahydro-5H-benzo(d)naphth(2,1-b)azepine-12-ol, (6aR,13bS)-11-Chloro-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol
| Molecular Formula | C18H18ClNO |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 3.638 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.1077 |
| Heavy Atoms | 21 |
| Complexity | 697.61285 |
Chemical Identifiers
| CAS Number | 129672-23-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2[C@@H]3[C@@H]1NCCC4=CC(=C(C=C34)O)Cl |
Product Overview
Sch 40853 (CAS 129672-23-7), with molecular formula C18H18ClNO and molecular weight 299.11 g/mol. IUPAC: (6aR,13bS)-11-chloro-6,6a,7,8,9,13b-hexahydro-5H-naphtho[1,2-a][3]benzazepin-12-ol.
Chemical Property Profile of Sch 40853
Property Insights of Sch 40853
The XLogP value of 3.638 indicates that Sch 40853 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, Sch 40853 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sch 40853 has 2 hydrogen bond donor(s) and 2 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 Sch 40853?
The CAS number of Sch 40853 is 129672-23-7.
What is the molecular formula of Sch 40853?
The molecular formula of Sch 40853 is C18H18ClNO.
What is the molecular weight of Sch 40853?
The molecular weight of Sch 40853 is 299.11 g/mol.
Where can I buy Sch 40853?
You can request a quote for Sch 40853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sch 40853?
Yes, KEHONG BIO provides custom synthesis services for Sch 40853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.