BAS 00459067
TL;DR: BAS 00459067 (CAS 467445-82-5) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-8-(2-methylprop-1-enyl)-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione
Also Known As: BAS 00459067, 5,6-dimethyl-8-(2-methyl-1-propen-1-yl)-2,3,4a,5,8,8a-hexahydro-1,4-phthalazinedione, 5,6-dimethyl-8-(2-methylprop-1-enyl)-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione, 5,6-dimethyl-8-(2-methylprop-1-en-1-yl)-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione, Cambridge id 5473000
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 1.5582 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 446.71036 |
Chemical Identifiers
| CAS Number | 467445-82-5 |
|---|---|
| SMILES | CC1C2C(C(C=C1C)C=C(C)C)C(=O)NNC2=O |
Product Overview
BAS 00459067 (CAS 467445-82-5), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: 5,6-dimethyl-8-(2-methylprop-1-enyl)-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione.
Chemical Property Profile of BAS 00459067
Property Insights of BAS 00459067
The XLogP value of 1.5582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00459067. With a topological polar surface area (TPSA) of 58.2 Ų, BAS 00459067 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00459067 has 2 hydrogen bond donor(s) and 2 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 00459067?
The CAS number of BAS 00459067 is 467445-82-5.
What is the molecular formula of BAS 00459067?
The molecular formula of BAS 00459067 is C14H20N2O2.
What is the molecular weight of BAS 00459067?
The molecular weight of BAS 00459067 is 248.15 g/mol.
Where can I buy BAS 00459067?
You can request a quote for BAS 00459067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00459067?
Yes, KEHONG BIO provides custom synthesis services for BAS 00459067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.