BAS 01107980
TL;DR: BAS 01107980 (CAS 302901-86-6) is a chemical compound with molecular formula C19H15ClN4 and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-chlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: BAS 01107980, 2-amino-4-(2-chlorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile, 2-amino-4-(2-chlorophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile, 2-amino-4-(2-chlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
| Molecular Formula | C19H15ClN4 |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 3.93364 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.0985 |
| Heavy Atoms | 24 |
| Complexity | 861.85345 |
Chemical Identifiers
| CAS Number | 302901-86-6 |
|---|---|
| SMILES | C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3Cl |
Product Overview
BAS 01107980 (CAS 302901-86-6), with molecular formula C19H15ClN4 and molecular weight 334.10 g/mol. IUPAC: 2-amino-4-(2-chlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of BAS 01107980
Property Insights of BAS 01107980
The XLogP value of 3.93364 indicates that BAS 01107980 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 01107980. Following Lipinski's Rule of Five, BAS 01107980 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 BAS 01107980?
The CAS number of BAS 01107980 is 302901-86-6.
What is the molecular formula of BAS 01107980?
The molecular formula of BAS 01107980 is C19H15ClN4.
What is the molecular weight of BAS 01107980?
The molecular weight of BAS 01107980 is 334.10 g/mol.
Where can I buy BAS 01107980?
You can request a quote for BAS 01107980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107980?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.