BAS 09976896
TL;DR: BAS 09976896 (CAS 577789-37-8) is a chemical compound with molecular formula C17H20ClNO3 and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: BAS 09976896, N-(3-chloro-4-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, AF-399/41981332, N-(3-chloro-4-methylphenyl)(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl)ca rboxamide, (1S,4S)-N-(3-CHLORO-4-METHYLPHENYL)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE
| Molecular Formula | C17H20ClNO3 |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 3.70882 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.11316 |
| Heavy Atoms | 22 |
| Complexity | 684.4817 |
Chemical Identifiers
| CAS Number | 577789-37-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C23CCC(C2(C)C)(C(=O)O3)C)Cl |
Product Overview
BAS 09976896 (CAS 577789-37-8), with molecular formula C17H20ClNO3 and molecular weight 321.11 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of BAS 09976896
Property Insights of BAS 09976896
The XLogP value of 3.70882 indicates that BAS 09976896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 09976896 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 09976896 has 1 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 09976896?
The CAS number of BAS 09976896 is 577789-37-8.
What is the molecular formula of BAS 09976896?
The molecular formula of BAS 09976896 is C17H20ClNO3.
What is the molecular weight of BAS 09976896?
The molecular weight of BAS 09976896 is 321.11 g/mol.
Where can I buy BAS 09976896?
You can request a quote for BAS 09976896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09976896?
Yes, KEHONG BIO provides custom synthesis services for BAS 09976896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.