Benastatin B
TL;DR: Benastatin B (CAS 138968-86-2) is a chemical compound with molecular formula C30H30O7 and molecular weight 502.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
Also Known As: Benastatin B, Benastatin-B, benastatinB, 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid, Benzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-
| Molecular Formula | C30H30O7 |
|---|---|
| Molecular Weight | 502.20 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.19916 |
| Heavy Atoms | 37 |
| Complexity | 872.0 |
Chemical Identifiers
| CAS Number | 138968-86-2 |
|---|---|
| SMILES | CCCCCC1=C(C(=C2C(=C1)CCC3=C(C4=C(C=C32)C(C5=C(C4=O)C(=CC(=C5)O)O)(C)C)O)O)C(=O)O |
| InChIKey | FUKMCLKFEWEFSC-UHFFFAOYSA-N |
Product Overview
Benastatin B (CAS 138968-86-2), with molecular formula C30H30O7 and molecular weight 502.20 g/mol. IUPAC: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid.
Chemical Property Profile of Benastatin B
Property Insights of Benastatin B
The XLogP value of 7.8 indicates that Benastatin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benastatin B. Following Lipinski's Rule of Five, Benastatin B has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benastatin B?
The CAS number of Benastatin B is 138968-86-2.
What is the molecular formula of Benastatin B?
The molecular formula of Benastatin B is C30H30O7.
What is the molecular weight of Benastatin B?
The molecular weight of Benastatin B is 502.20 g/mol.
Where can I buy Benastatin B?
You can request a quote for Benastatin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benastatin B?
Yes, KEHONG BIO provides custom synthesis services for Benastatin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.