butyl-Carbonimidicdichloride
TL;DR: butyl-Carbonimidicdichloride (CAS 5652-92-6) is a chemical compound with molecular formula C16H16BrN3S and molecular weight 361.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: butyl-Carbonimidicdichloride, malonaldehyde bis-phenylimine, BIM-0027859.P001, 2-Amino-4(4-bromo-5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-4-(4-bromo-5-ethyl(2-thienyl))-5,6,7,8-tetrahydroquinoline-3-carbonitr ile
| Molecular Formula | C16H16BrN3S |
|---|---|
| Molecular Weight | 361.02 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.02484 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 5652-92-6 |
|---|---|
| SMILES | CCC1=C(C=C(S1)C2=C(C(=NC3=C2CCCC3)N)C#N)Br |
| InChIKey | MUVCSHFQNMCYMI-UHFFFAOYSA-N |
Product Overview
butyl-Carbonimidicdichloride (CAS 5652-92-6), with molecular formula C16H16BrN3S and molecular weight 361.02 g/mol. IUPAC: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of butyl-Carbonimidicdichloride
Property Insights of butyl-Carbonimidicdichloride
The XLogP value of 4.9 indicates that butyl-Carbonimidicdichloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl-Carbonimidicdichloride. Following Lipinski's Rule of Five, butyl-Carbonimidicdichloride has 1 hydrogen bond donor(s) and 4 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 butyl-Carbonimidicdichloride?
The CAS number of butyl-Carbonimidicdichloride is 5652-92-6.
What is the molecular formula of butyl-Carbonimidicdichloride?
The molecular formula of butyl-Carbonimidicdichloride is C16H16BrN3S.
What is the molecular weight of butyl-Carbonimidicdichloride?
The molecular weight of butyl-Carbonimidicdichloride is 361.02 g/mol.
Where can I buy butyl-Carbonimidicdichloride?
You can request a quote for butyl-Carbonimidicdichloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl-Carbonimidicdichloride?
Yes, KEHONG BIO provides custom synthesis services for butyl-Carbonimidicdichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.