AE-641/30154033
TL;DR: AE-641/30154033 (CAS 99756-31-7) is a chemical compound with molecular formula C30H30N4OS and molecular weight 494.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile
Also Known As: AE-641/30154033, Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl)propyl)-, 11-{3-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6,11-dihydrodibenzo[b,e]thiepine-11-carbonitrile, 11-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile, 11-{3-[4-(2-Hydroxy-1H-1,3-benzimidazol-1-yl)piperidin-1-yl]propyl}-6,11-dihydrodibenzo[b,e]thiepine-11-carbonitrile
| Molecular Formula | C30H30N4OS |
|---|---|
| Molecular Weight | 494.21 g/mol |
| LogP | 5.86228 |
| Topological Polar Surface Area | 64.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.21402 |
| Heavy Atoms | 36 |
| Complexity | 1441.1089 |
Chemical Identifiers
| CAS Number | 99756-31-7 |
|---|---|
| SMILES | C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC4(C5=CC=CC=C5CSC6=CC=CC=C64)C#N |
Product Overview
AE-641/30154033 (CAS 99756-31-7), with molecular formula C30H30N4OS and molecular weight 494.21 g/mol. IUPAC: 11-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile.
Chemical Property Profile of AE-641/30154033
Property Insights of AE-641/30154033
The XLogP value of 5.86228 indicates that AE-641/30154033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/30154033. Following Lipinski's Rule of Five, AE-641/30154033 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 AE-641/30154033?
The CAS number of AE-641/30154033 is 99756-31-7.
What is the molecular formula of AE-641/30154033?
The molecular formula of AE-641/30154033 is C30H30N4OS.
What is the molecular weight of AE-641/30154033?
The molecular weight of AE-641/30154033 is 494.21 g/mol.
Where can I buy AE-641/30154033?
You can request a quote for AE-641/30154033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/30154033?
Yes, KEHONG BIO provides custom synthesis services for AE-641/30154033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.