BAS 00673119
TL;DR: BAS 00673119 (CAS 5650-95-3) is a chemical compound with molecular formula C18H16N4S and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-methylthiophen-2-yl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: BAS 00673119, 2-amino-4-(5-methylthiophen-2-yl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile, 2-amino-4-(5-methylthien-2-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile, 2-Amino-4-(5-methylthiophen-2-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
| Molecular Formula | C18H16N4S |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | 3.65016 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.10956 |
| Heavy Atoms | 23 |
| Complexity | 823.5982 |
Chemical Identifiers
| CAS Number | 5650-95-3 |
|---|---|
| SMILES | CC1=CC=C(S1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N |
Product Overview
BAS 00673119 (CAS 5650-95-3), with molecular formula C18H16N4S and molecular weight 320.11 g/mol. IUPAC: 2-amino-4-(5-methylthiophen-2-yl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of BAS 00673119
Property Insights of BAS 00673119
The XLogP value of 3.65016 indicates that BAS 00673119 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00673119. Following Lipinski's Rule of Five, BAS 00673119 has 1 hydrogen bond donor(s) and 5 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 BAS 00673119?
The CAS number of BAS 00673119 is 5650-95-3.
What is the molecular formula of BAS 00673119?
The molecular formula of BAS 00673119 is C18H16N4S.
What is the molecular weight of BAS 00673119?
The molecular weight of BAS 00673119 is 320.11 g/mol.
Where can I buy BAS 00673119?
You can request a quote for BAS 00673119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00673119?
Yes, KEHONG BIO provides custom synthesis services for BAS 00673119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.