BUDLEIN A
TL;DR: BUDLEIN A (CAS 59481-48-0) is a chemical compound with molecular formula C20H22O7 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z,4R,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate
Also Known As: BUDLEIN A, SID:134222283, [(2Z,4R,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,11-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4R*(Z),6R*,10Z,11aR))-, ((2Z,4R,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo(9.2.1.04,8)tetradeca-1(13),2-dien-9-yl) (Z)-2-methylbut-2-enoate
| Molecular Formula | C20H22O7 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 1.5265 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.13657 |
| Heavy Atoms | 27 |
| Complexity | 816.1869 |
Chemical Identifiers
| CAS Number | 59481-48-0 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@@H]1C[C@@]2(C(=O)C=C(O2)/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/CO)C |
Product Overview
BUDLEIN A (CAS 59481-48-0), with molecular formula C20H22O7 and molecular weight 374.14 g/mol. IUPAC: [(2Z,4R,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of BUDLEIN A
Property Insights of BUDLEIN A
The XLogP value of 1.5265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BUDLEIN A. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BUDLEIN A. Following Lipinski's Rule of Five, BUDLEIN A has 1 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 BUDLEIN A?
The CAS number of BUDLEIN A is 59481-48-0.
What is the molecular formula of BUDLEIN A?
The molecular formula of BUDLEIN A is C20H22O7.
What is the molecular weight of BUDLEIN A?
The molecular weight of BUDLEIN A is 374.14 g/mol.
Where can I buy BUDLEIN A?
You can request a quote for BUDLEIN A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BUDLEIN A?
Yes, KEHONG BIO provides custom synthesis services for BUDLEIN A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.