Hatomarubigin D
TL;DR: Hatomarubigin D (CAS 139501-93-2) is a chemical compound with molecular formula C41H36O10 and molecular weight 688.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S)-10-[[(1S,3S)-1,11-dihydroxy-8-methoxy-3-methyl-7,12-dioxo-1,2,3,4-tetrahydrobenzo[a]anthracen-10-yl]methyl]-1,11-dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
Also Known As: Hatomarubigin D, (1S,3S)-10-[[(1S,3S)-1,11-dihydroxy-8-methoxy-3-methyl-7,12-dioxo-1,2,3,4-tetrahydrobenzo[a]anthracen-10-yl]methyl]-1,11-dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione, Benz(a)anthracene-7,12-dione, 10,10'-methylenebis(1,2,3,4-tetrahydro-1,11-dihydroxy-8-methoxy-3-methyl-, (1S-(1alpha,3alpha,10(1'R*,3'R*)))-, (1S,1 S,3S,3 S)-10,10 -Methylenebis[1,2,3,4-tetrahydro-3beta-methyl-8-methoxy-1beta,11-dihydroxybenzo[a]anthracene-7,12-dione], (1S,1'S,3S,3'S)-10,10'-Methylenebis(1,11-dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrotetraphene-7,12-dione)
| Molecular Formula | C41H36O10 |
|---|---|
| Molecular Weight | 688.23 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 688.23083 |
| Heavy Atoms | 51 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 139501-93-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](C2=C(C1)C=CC3=C2C(=O)C4=C(C(=CC(=C4C3=O)OC)CC5=CC(=C6C(=C5O)C(=O)C7=C(C6=O)C=CC8=C7[C@H](C[C@H](C8)C)O)OC)O)O |
| InChIKey | AASPEXAITKEFPE-SEMUBUJISA-N |
Product Overview
Hatomarubigin D (CAS 139501-93-2), with molecular formula C41H36O10 and molecular weight 688.23 g/mol. IUPAC: (1S,3S)-10-[[(1S,3S)-1,11-dihydroxy-8-methoxy-3-methyl-7,12-dioxo-1,2,3,4-tetrahydrobenzo[a]anthracen-10-yl]methyl]-1,11-dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione.
Chemical Property Profile of Hatomarubigin D
Property Insights of Hatomarubigin D
The XLogP value of 6.7 indicates that Hatomarubigin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting Hatomarubigin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hatomarubigin D has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hatomarubigin D?
The CAS number of Hatomarubigin D is 139501-93-2.
What is the molecular formula of Hatomarubigin D?
The molecular formula of Hatomarubigin D is C41H36O10.
What is the molecular weight of Hatomarubigin D?
The molecular weight of Hatomarubigin D is 688.23 g/mol.
Where can I buy Hatomarubigin D?
You can request a quote for Hatomarubigin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hatomarubigin D?
Yes, KEHONG BIO provides custom synthesis services for Hatomarubigin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.