BAS 09530391
TL;DR: BAS 09530391 (CAS 445036-82-8) is a chemical compound with molecular formula C21H22F2N4O and molecular weight 384.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylpiperidin-1-yl)methanone
Also Known As: BAS 09530391, VU0047447-1, [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylpiperidin-1-yl)methanone, 7-(difluoromethyl)-3-[(2-ethyl-1-piperidinyl)carbonyl]-5-phenylpyrazolo[1,5-a]pyrimidine, [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl](2-ethylpiperidin-1-yl)methanone
| Molecular Formula | C21H22F2N4O |
|---|---|
| Molecular Weight | 384.18 g/mol |
| LogP | 4.7386 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.17618 |
| Heavy Atoms | 28 |
| Complexity | 986.7392 |
Chemical Identifiers
| CAS Number | 445036-82-8 |
|---|---|
| SMILES | CCC1CCCCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4 |
Product Overview
BAS 09530391 (CAS 445036-82-8), with molecular formula C21H22F2N4O and molecular weight 384.18 g/mol. IUPAC: [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylpiperidin-1-yl)methanone.
Chemical Property Profile of BAS 09530391
Property Insights of BAS 09530391
The XLogP value of 4.7386 indicates that BAS 09530391 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, BAS 09530391 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 09530391 has 0 hydrogen bond donor(s) and 3 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 09530391?
The CAS number of BAS 09530391 is 445036-82-8.
What is the molecular formula of BAS 09530391?
The molecular formula of BAS 09530391 is C21H22F2N4O.
What is the molecular weight of BAS 09530391?
The molecular weight of BAS 09530391 is 384.18 g/mol.
Where can I buy BAS 09530391?
You can request a quote for BAS 09530391 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09530391?
Yes, KEHONG BIO provides custom synthesis services for BAS 09530391 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.