J1.734.821C
TL;DR: J1.734.821C (CAS 369587-56-4) is a chemical compound with molecular formula C18H18O5 and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione
Also Known As: J1.734.821C, 4-(1,3-Benzodioxol-5-yl)-4,6,7,8-tetrahydro-7,7-dimethyl-2H-1-benzopyran-2,5(3H)-dione, 4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione, A3492/0148066, 4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione
| Molecular Formula | C18H18O5 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.089 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.11542 |
| Heavy Atoms | 23 |
| Complexity | 743.7789 |
Chemical Identifiers
| CAS Number | 369587-56-4 |
|---|---|
| SMILES | CC1(CC2=C(C(CC(=O)O2)C3=CC4=C(C=C3)OCO4)C(=O)C1)C |
Product Overview
J1.734.821C (CAS 369587-56-4), with molecular formula C18H18O5 and molecular weight 314.12 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2,5-dione.
Chemical Property Profile of J1.734.821C
Property Insights of J1.734.821C
The XLogP value of 3.089 indicates that J1.734.821C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.734.821C. Following Lipinski's Rule of Five, J1.734.821C has 0 hydrogen bond donor(s) and 5 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 J1.734.821C?
The CAS number of J1.734.821C is 369587-56-4.
What is the molecular formula of J1.734.821C?
The molecular formula of J1.734.821C is C18H18O5.
What is the molecular weight of J1.734.821C?
The molecular weight of J1.734.821C is 314.12 g/mol.
Where can I buy J1.734.821C?
You can request a quote for J1.734.821C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.734.821C?
Yes, KEHONG BIO provides custom synthesis services for J1.734.821C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.