Emmotin D
TL;DR: Emmotin D (CAS 53915-47-2) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-hydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one
Also Known As: EMMOTIN D, 8-Hydroxy-7-(1-hydroxy-1-methylethyl)-5-methyl-2h-naphtho[1,8-bc]furan-2-one, 11-hydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one, 8-Hydroxy-7-(2-hydroxypropan-2-yl)-5-methyl-2H-naphtho[1,8-bc]furan-2-one, 11-hydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-2-oxatricyclo(6.3.1.04,12)dodeca-1(11),4(12),5,7,9-pentaen-3-one
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 53915-47-2 |
|---|---|
| SMILES | CC1=C2C=C(C(=C3C2=C(C=C1)C(=O)O3)O)C(C)(C)O |
| InChIKey | NRYQRYXWSGRVBE-UHFFFAOYSA-N |
Product Overview
Emmotin D (CAS 53915-47-2), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 11-hydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one.
Chemical Property Profile of Emmotin D
Property Insights of Emmotin D
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emmotin D. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Emmotin D. Following Lipinski's Rule of Five, Emmotin D has 2 hydrogen bond donor(s) and 4 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 Emmotin D?
The CAS number of Emmotin D is 53915-47-2.
What is the molecular formula of Emmotin D?
The molecular formula of Emmotin D is C15H14O4.
What is the molecular weight of Emmotin D?
The molecular weight of Emmotin D is 258.09 g/mol.
Where can I buy Emmotin D?
You can request a quote for Emmotin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emmotin D?
Yes, KEHONG BIO provides custom synthesis services for Emmotin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.