BAS 07416855
TL;DR: BAS 07416855 (CAS 303176-96-7) 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-6-methyl-4-thiophen-2-yl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: BAS 07416855, AN-512/13368009, 2-amino-6-methyl-4-(thiophen-2-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile, 2-Amino-6-methyl-4-thiophen-2-yl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile, 2-amino-6-methyl-4-(2-thienyl)-3,4,5,6,7,4a-hexahydronaphthalene-1,3,3-tricarb onitrile
| Molecular Formula | C18H16N4S |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.10956 |
| Heavy Atoms | 23 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 303176-96-7 |
|---|---|
| SMILES | CC1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3 |
| InChIKey | NQLGNUDZYAUBPL-UHFFFAOYSA-N |
Product Overview
BAS 07416855 (CAS 303176-96-7), with molecular formula C18H16N4S and molecular weight 320.11 g/mol. IUPAC: 2-amino-6-methyl-4-thiophen-2-yl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of BAS 07416855
Property Insights of BAS 07416855
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07416855. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07416855. Following Lipinski's Rule of Five, BAS 07416855 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 07416855?
The CAS number of BAS 07416855 is 303176-96-7.
What is the molecular formula of BAS 07416855?
The molecular formula of BAS 07416855 is C18H16N4S.
What is the molecular weight of BAS 07416855?
The molecular weight of BAS 07416855 is 320.11 g/mol.
Where can I buy BAS 07416855?
You can request a quote for BAS 07416855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07416855?
Yes, KEHONG BIO provides custom synthesis services for BAS 07416855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.