X-14881D
TL;DR: X-14881D (CAS 85178-52-5) is a chemical compound with molecular formula C20H22O6 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6a,7,12-tetrahydroxy-8-methoxy-3-methyl-2,3,4,7,12,12a-hexahydrobenzo[a]anthracen-1-one
Also Known As: Antibiotic X-14881D, X-14881D, X 14881D, 3,4,6a,7,12,12a-Hexahydro-4,6a,7,12-tetrahydroxy-8-methoxy-3-methylbenz(a)anthracen-1(2H)-one, 4,6a,7,12-tetrahydroxy-8-methoxy-3-methyl-2,3,4,7,12,12a-hexahydrobenzo[a]anthracen-1-one
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 358.14163 |
| Heavy Atoms | 26 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 85178-52-5 |
|---|---|
| SMILES | CC1CC(=O)C2=C(C1O)C=CC3(C2C(C4=C(C3O)C(=CC=C4)OC)O)O |
| InChIKey | XMXBNUIKCGPIAR-UHFFFAOYSA-N |
Product Overview
X-14881D (CAS 85178-52-5), with molecular formula C20H22O6 and molecular weight 358.14 g/mol. IUPAC: 4,6a,7,12-tetrahydroxy-8-methoxy-3-methyl-2,3,4,7,12,12a-hexahydrobenzo[a]anthracen-1-one.
Chemical Property Profile of X-14881D
Property Insights of X-14881D
The XLogP value of -0.9 indicates that X-14881D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for X-14881D. Following Lipinski's Rule of Five, X-14881D has 4 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 X-14881D?
The CAS number of X-14881D is 85178-52-5.
What is the molecular formula of X-14881D?
The molecular formula of X-14881D is C20H22O6.
What is the molecular weight of X-14881D?
The molecular weight of X-14881D is 358.14 g/mol.
Where can I buy X-14881D?
You can request a quote for X-14881D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for X-14881D?
Yes, KEHONG BIO provides custom synthesis services for X-14881D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.