NCI60_003734
TL;DR: NCI60_003734 (CAS 7512-02-9) is a chemical compound with molecular formula C25H34O7 and molecular weight 446.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: NCI60_003734, 9-(2,6-Dimethyltetrahydro(1,3)dioxino(5,4-d)(1,3)dioxin-4-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 9-(2,6-Dimethyltetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-(2,6-Dimethyltetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
| Molecular Formula | C25H34O7 |
|---|---|
| Molecular Weight | 446.23 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 446.23044 |
| Heavy Atoms | 32 |
| Complexity | 859.0 |
Chemical Identifiers
| CAS Number | 7512-02-9 |
|---|---|
| SMILES | CC1OCC2C(O1)C(OC(O2)C)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C |
| InChIKey | NUIBXLWXNAKBGU-UHFFFAOYSA-N |
Product Overview
NCI60_003734 (CAS 7512-02-9), with molecular formula C25H34O7 and molecular weight 446.23 g/mol. IUPAC: 9-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of NCI60_003734
Property Insights of NCI60_003734
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_003734. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_003734. Following Lipinski's Rule of Five, NCI60_003734 has 0 hydrogen bond donor(s) and 7 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 NCI60_003734?
The CAS number of NCI60_003734 is 7512-02-9.
What is the molecular formula of NCI60_003734?
The molecular formula of NCI60_003734 is C25H34O7.
What is the molecular weight of NCI60_003734?
The molecular weight of NCI60_003734 is 446.23 g/mol.
Where can I buy NCI60_003734?
You can request a quote for NCI60_003734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003734?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.