Blattellastanoside A
TL;DR: Blattellastanoside A (CAS 149864-63-1) is a chemical compound with molecular formula C35H59ClO7 and molecular weight 626.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R,6R)-2-[[(2R,9R,15R,16R)-9-chloro-15-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Blattellastanoside A, beta-D-Glucopyranoside, (3beta,4beta,5beta,6alpha)-6-chloro-4,5-epoxystigmastan-3-yl, (2R,3R,4S,5R,6R)-2-(((2R,9R,15R,16R)-9-chloro-15-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-2,16-dimethyl-7-oxapentacyclo(9.7.0.02,8.06,8.012,16)octadecan-5-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol, RefChem:917380
| Molecular Formula | C35H59ClO7 |
|---|---|
| Molecular Weight | 626.39 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 626.39496 |
| Heavy Atoms | 43 |
| Complexity | 997.0 |
Chemical Identifiers
| CAS Number | 149864-63-1 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2C[C@H](C45[C@@]3(CCC(C4O5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)C)Cl)C)C(C)C |
| InChIKey | HAAIKLIMLBUYHH-YRIMARDTSA-N |
Product Overview
Blattellastanoside A (CAS 149864-63-1), with molecular formula C35H59ClO7 and molecular weight 626.39 g/mol. IUPAC: (2R,3R,4S,5R,6R)-2-[[(2R,9R,15R,16R)-9-chloro-15-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Blattellastanoside A
Property Insights of Blattellastanoside A
The XLogP value of 7.5 indicates that Blattellastanoside A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Blattellastanoside A. Following Lipinski's Rule of Five, Blattellastanoside A has 4 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 Blattellastanoside A?
The CAS number of Blattellastanoside A is 149864-63-1.
What is the molecular formula of Blattellastanoside A?
The molecular formula of Blattellastanoside A is C35H59ClO7.
What is the molecular weight of Blattellastanoside A?
The molecular weight of Blattellastanoside A is 626.39 g/mol.
Where can I buy Blattellastanoside A?
You can request a quote for Blattellastanoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Blattellastanoside A?
Yes, KEHONG BIO provides custom synthesis services for Blattellastanoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.