C2T43Flg0U
TL;DR: C2T43Flg0U (CAS 212249-90-6) is a chemical compound with molecular formula C19H18ClNO2 and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-5-(1-benzofuran-7-yl)-8-chloro-3-(111C)methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Also Known As: Nnc 112, [11C]NNC 112, NNC-112 C-11, (11C)-NNC-112, (+)-(11C)NNC 112
| Molecular Formula | C19H18ClNO2 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 36.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.11404 |
| Heavy Atoms | 23 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 212249-90-6 |
|---|---|
| SMILES | [11CH3]N1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC4=C3OC=C4)O)Cl |
| InChIKey | RUSANBIFMAXXSJ-XNJXNPSASA-N |
Product Overview
C2T43Flg0U (CAS 212249-90-6), with molecular formula C19H18ClNO2 and molecular weight 326.11 g/mol. IUPAC: (5S)-5-(1-benzofuran-7-yl)-8-chloro-3-(111C)methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
Chemical Property Profile of C2T43Flg0U
Property Insights of C2T43Flg0U
The XLogP value of 4.4 indicates that C2T43Flg0U is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.6 Ų, C2T43Flg0U exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C2T43Flg0U has 1 hydrogen bond donor(s) and 3 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 C2T43Flg0U?
The CAS number of C2T43Flg0U is 212249-90-6.
What is the molecular formula of C2T43Flg0U?
The molecular formula of C2T43Flg0U is C19H18ClNO2.
What is the molecular weight of C2T43Flg0U?
The molecular weight of C2T43Flg0U is 326.11 g/mol.
Where can I buy C2T43Flg0U?
You can request a quote for C2T43Flg0U directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C2T43Flg0U?
Yes, KEHONG BIO provides custom synthesis services for C2T43Flg0U and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.