巴豆醇-12-肉豆蔻酸酯-13-乙酸酯
TL;DR: 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯 (CAS 60857-08-1) is a chemical compound with molecular formula C22H30O6 and molecular weight 390.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巴豆醇-12-肉豆蔻酸酯-13-乙酸酯
[1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate
Also Known As: Prostratin, 12-Deoxyphorbol 13-acetate, 12-Deoxyphorbol-13-acetate, [1,6-Dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate, 1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-13-yl acetate
| Molecular Formula | C22H30O6 |
|---|---|
| Molecular Weight | 390.20 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.20422 |
| Heavy Atoms | 28 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 60857-08-1 |
|---|---|
| SMILES | CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C |
| InChIKey | BOJKFRKNLSCGHY-UHFFFAOYSA-N |
Product Overview
巴豆醇-12-肉豆蔻酸酯-13-乙酸酯 (CAS 60857-08-1), with molecular formula C22H30O6 and molecular weight 390.20 g/mol. IUPAC: [1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate.
Chemical Property Profile of 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯
Property Insights of 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯. Following Lipinski's Rule of Five, 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯 has 3 hydrogen bond donor(s) and 6 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 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯?
The CAS number of 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯 is 60857-08-1.
What is the molecular formula of 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯?
The molecular formula of 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯 is C22H30O6.
What is the molecular weight of 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯?
The molecular weight of 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯 is 390.20 g/mol.
Where can I buy 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯?
You can request a quote for 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 巴豆醇-12-肉豆蔻酸酯-13-乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.