J1.216.549H
TL;DR: J1.216.549H (CAS 99756-28-2) is a chemical compound with molecular formula C29H29FN2OS and molecular weight 472.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile
Also Known As: J1.216.549H, AE-641/30154030, 11-{3-[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]propyl}-6,11-dihydrodibenzo[b,e]thiepine-11-carbonitrile, 2-{3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]propyl}-9-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile, 5-{3-[4-(4-Fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-propyl}-5,11-dihydro-10-thia-dibenzo[a,d]cycloheptene-5-carbonitrile
| Molecular Formula | C29H29FN2OS |
|---|---|
| Molecular Weight | 472.20 g/mol |
| LogP | 6.00488 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.19846 |
| Heavy Atoms | 34 |
| Complexity | 1147.7526 |
Chemical Identifiers
| CAS Number | 99756-28-2 |
|---|---|
| SMILES | C1CN(CCC1(C2=CC=C(C=C2)F)O)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N |
Product Overview
J1.216.549H (CAS 99756-28-2), with molecular formula C29H29FN2OS and molecular weight 472.20 g/mol. IUPAC: 11-[3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile.
Chemical Property Profile of J1.216.549H
Property Insights of J1.216.549H
The XLogP value of 6.00488 indicates that J1.216.549H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, J1.216.549H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J1.216.549H 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 J1.216.549H?
The CAS number of J1.216.549H is 99756-28-2.
What is the molecular formula of J1.216.549H?
The molecular formula of J1.216.549H is C29H29FN2OS.
What is the molecular weight of J1.216.549H?
The molecular weight of J1.216.549H is 472.20 g/mol.
Where can I buy J1.216.549H?
You can request a quote for J1.216.549H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.216.549H?
Yes, KEHONG BIO provides custom synthesis services for J1.216.549H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.