![2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid structure](/static/products/6399/63999-06-4.webp)
2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid
TL;DR: 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid (CAS 63999-06-4) is a chemical compound with molecular formula C22H22O10 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid
Also Known As: [5,9,10,12-Tetrahydroxy-1,13-dimethyl-6,11-dioxo-3,4,6,7,8,9,10,11-octahydro-1H-7,10-(epoxymethano)anthra[2,3-c]pyran-3-yl]acetic acid
| Molecular Formula | C22H22O10 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.1213 |
| Heavy Atoms | 32 |
| Complexity | 912.0 |
Chemical Identifiers
| CAS Number | 63999-06-4 |
|---|---|
| SMILES | CC1C2=C(CC(O1)CC(=O)O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C5CC(C4(C(O5)C)O)O)O |
| InChIKey | GNTIHWMOJLHUNA-UHFFFAOYSA-N |
Product Overview
2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid (CAS 63999-06-4), with molecular formula C22H22O10 and molecular weight 446.12 g/mol. IUPAC: 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid.
Chemical Property Profile of 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid
Property Insights of 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid
The XLogP value of -0.1 indicates that 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid has 5 hydrogen bond donor(s) and 10 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 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid?
The CAS number of 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid is 63999-06-4.
What is the molecular formula of 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid?
The molecular formula of 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid is C22H22O10.
What is the molecular weight of 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid?
The molecular weight of 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid is 446.12 g/mol.
Where can I buy 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid?
You can request a quote for 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.