MBADE
TL;DR: MBADE (CAS 64625-66-7) is a chemical compound with molecular formula C19H16O3 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S)-12-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
Also Known As: MBADE, anti-7-Mba-3,4-diol 1,2-oxide, (+-)-trans-anti-3,4-Dihydro-3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydro-7-methylbenz(a)anthracene, 7-Methylbenz(a)anthracene 3,4-dihydrodiol 1,2-epoxide, r-4,t-3-Dihydroxy-t-1,2-epoxy-7-methyl-1,2,3,4-tetrahydrobenz(a)anthracene
| Molecular Formula | C19H16O3 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.10995 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 64625-66-7 |
|---|---|
| SMILES | CC1=C2C=CC3=C(C2=CC4=CC=CC=C14)[C@H]5[C@@H](O5)C(C3O)O |
| InChIKey | CTCQBMGFYNPCAS-BTRQGYIVSA-N |
Product Overview
MBADE (CAS 64625-66-7), with molecular formula C19H16O3 and molecular weight 292.11 g/mol. IUPAC: (3S,5S)-12-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol.
Chemical Property Profile of MBADE
Property Insights of MBADE
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MBADE. With a topological polar surface area (TPSA) of 53.0 Ų, MBADE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MBADE has 2 hydrogen bond donor(s) and 3 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 MBADE?
The CAS number of MBADE is 64625-66-7.
What is the molecular formula of MBADE?
The molecular formula of MBADE is C19H16O3.
What is the molecular weight of MBADE?
The molecular weight of MBADE is 292.11 g/mol.
Where can I buy MBADE?
You can request a quote for MBADE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MBADE?
Yes, KEHONG BIO provides custom synthesis services for MBADE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.