Hatomarubigin B
TL;DR: Hatomarubigin B (CAS 139501-91-0) is a chemical compound with molecular formula C20H16O5 and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-11-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
Also Known As: Hatomarubigin B, (+)-Hatomarubigin B, J1.661.824A, (3S)-11-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione, Benz(a)anthracene-1,7,12(2H)-trione, 3,4-dihydro-11-hydroxy-8-methoxy-3-methyl-, (S)-
| Molecular Formula | C20H16O5 |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.09976 |
| Heavy Atoms | 25 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 139501-91-0 |
|---|---|
| SMILES | C[C@H]1CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C=CC(=C4C3=O)O)OC |
| InChIKey | IAWMODONDSIOEK-VIFPVBQESA-N |
Product Overview
Hatomarubigin B (CAS 139501-91-0), with molecular formula C20H16O5 and molecular weight 336.10 g/mol. IUPAC: (3S)-11-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione.
Chemical Property Profile of Hatomarubigin B
Property Insights of Hatomarubigin B
The XLogP value of 3.6 indicates that Hatomarubigin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Hatomarubigin B. Following Lipinski's Rule of Five, Hatomarubigin B has 1 hydrogen bond donor(s) and 5 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 Hatomarubigin B?
The CAS number of Hatomarubigin B is 139501-91-0.
What is the molecular formula of Hatomarubigin B?
The molecular formula of Hatomarubigin B is C20H16O5.
What is the molecular weight of Hatomarubigin B?
The molecular weight of Hatomarubigin B is 336.10 g/mol.
Where can I buy Hatomarubigin B?
You can request a quote for Hatomarubigin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hatomarubigin B?
Yes, KEHONG BIO provides custom synthesis services for Hatomarubigin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.