D001-0007
TL;DR: D001-0007 (CAS 844853-32-3) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-oxo-N-(4-propan-2-ylphenyl)-4H-isochromene-3-carboxamide
Also Known As: D001-0007, N-(4-isopropylphenyl)-3-methyl-1-oxoisochroman-3-carboxamide, 3-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide, 3-methyl-1-oxo-N-(4-propan-2-ylphenyl)-4H-isochromene-3-carboxamide, 3-METHYL-1-OXO-N-[4-(PROPAN-2-YL)PHENYL]-3,4-DIHYDRO-1H-2-BENZOPYRAN-3-CARBOXAMIDE
| Molecular Formula | C20H21NO3 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 3.9203 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.15213 |
| Heavy Atoms | 24 |
| Complexity | 779.7259 |
Chemical Identifiers
| CAS Number | 844853-32-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C |
Product Overview
D001-0007 (CAS 844853-32-3), with molecular formula C20H21NO3 and molecular weight 323.15 g/mol. IUPAC: 3-methyl-1-oxo-N-(4-propan-2-ylphenyl)-4H-isochromene-3-carboxamide.
Chemical Property Profile of D001-0007
Property Insights of D001-0007
The XLogP value of 3.9203 indicates that D001-0007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, D001-0007 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D001-0007 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 D001-0007?
The CAS number of D001-0007 is 844853-32-3.
What is the molecular formula of D001-0007?
The molecular formula of D001-0007 is C20H21NO3.
What is the molecular weight of D001-0007?
The molecular weight of D001-0007 is 323.15 g/mol.
Where can I buy D001-0007?
You can request a quote for D001-0007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D001-0007?
Yes, KEHONG BIO provides custom synthesis services for D001-0007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.