LOBATIN B
TL;DR: LOBATIN B (CAS 84754-02-9) is a chemical compound with molecular formula C20H24O7 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl) 3-methylbutanoate
Also Known As: LOBATIN B, [(2Z,4R,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 3-methylbutanoate
| Molecular Formula | C20H24O7 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.1522 |
| Heavy Atoms | 27 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 84754-02-9 |
|---|---|
| SMILES | CC1=CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 |
| InChIKey | JXMKTEYFXIBRKC-UHFFFAOYSA-N |
Product Overview
LOBATIN B (CAS 84754-02-9), with molecular formula C20H24O7 and molecular weight 376.15 g/mol. IUPAC: (10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl) 3-methylbutanoate.
Chemical Property Profile of LOBATIN B
Property Insights of LOBATIN B
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LOBATIN B. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for LOBATIN B. Following Lipinski's Rule of Five, LOBATIN B has 1 hydrogen bond donor(s) and 7 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 LOBATIN B?
The CAS number of LOBATIN B is 84754-02-9.
What is the molecular formula of LOBATIN B?
The molecular formula of LOBATIN B is C20H24O7.
What is the molecular weight of LOBATIN B?
The molecular weight of LOBATIN B is 376.15 g/mol.
Where can I buy LOBATIN B?
You can request a quote for LOBATIN B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LOBATIN B?
Yes, KEHONG BIO provides custom synthesis services for LOBATIN B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.