C22H28FN3S
TL;DR: C22H28FN3S (CAS 956786-52-0) is a chemical compound with molecular formula C22H28FN3S and molecular weight 385.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,9S,10R)-N-(2-fluorophenyl)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbothioamide
Also Known As: A3994/0170216, (6R,6aR,13R,13aS)-N-(2-fluorophenyl)-2,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-1H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1-carbothioamide, (6S,6aR,13R,13aS)-N-(2-fluorophenyl)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carbothioamide, N~3~-(2-FLUOROPHENYL)-3,15-DIAZATETRACYCLO[7.7.1.0~2,7~.0~10,15~]HEPTADEC-7-ENE-3-CARBOTHIOAMIDE
| Molecular Formula | C22H28FN3S |
|---|---|
| Molecular Weight | 385.20 g/mol |
| LogP | 4.4175 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 385.1988 |
| Heavy Atoms | 27 |
| Complexity | 763.6797 |
Chemical Identifiers
| CAS Number | 956786-52-0 |
|---|---|
| SMILES | C1CCN2C[C@H]3C[C@H]([C@H]2C1)C=C4[C@H]3N(CCC4)C(=S)NC5=CC=CC=C5F |
Product Overview
C22H28FN3S (CAS 956786-52-0), with molecular formula C22H28FN3S and molecular weight 385.20 g/mol. IUPAC: (1R,2S,9S,10R)-N-(2-fluorophenyl)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbothioamide.
Chemical Property Profile of C22H28FN3S
Property Insights of C22H28FN3S
The XLogP value of 4.4175 indicates that C22H28FN3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, C22H28FN3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H28FN3S has 1 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 C22H28FN3S?
The CAS number of C22H28FN3S is 956786-52-0.
What is the molecular formula of C22H28FN3S?
The molecular formula of C22H28FN3S is C22H28FN3S.
What is the molecular weight of C22H28FN3S?
The molecular weight of C22H28FN3S is 385.20 g/mol.
Where can I buy C22H28FN3S?
You can request a quote for C22H28FN3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H28FN3S?
Yes, KEHONG BIO provides custom synthesis services for C22H28FN3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.