Pasakbumin-B
TL;DR: Pasakbumin-B (CAS 138683-58-6) is a chemical compound with molecular formula C20H24O10 and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5S,6S,7S,8R,11R,13S,17S,18S,19S)-4,5,7,8,17-pentahydroxy-14,18-dimethylspiro[2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione
Also Known As: Pasakbumin-B, PASAKBUMIN B, Picras-3-ene-2,16-dione, 11,20:13,21-diepoxy-1,11,12,14,15-pentahydroxy-, (1-beta,11-beta,12-alpha,13-beta,15-beta)-, (1S,2S,2'S,3aS,4R,6aR,7aS,11S,11aS,11bS)-1,2,3a,4,11-Pentahydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro[11c,1-(epoxymethano)phenanthro[10,1-bc]pyran-3,2'-oxirane]-5,10(4H,6aH)-dione, 1,2,3a,4,11-Pentahydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro(11c,1-(epoxymethano)phenanthro(10,1-bc)pyran-3,2'-oxirane)-5,10(4H,6aH)-dione
| Molecular Formula | C20H24O10 |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | -2.8203 |
| Topological Polar Surface Area | 166.28 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 424.13693 |
| Heavy Atoms | 30 |
| Complexity | 926.548 |
Chemical Identifiers
| CAS Number | 138683-58-6 |
|---|---|
| SMILES | CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@](CO4)([C@@H]([C@]6([C@@]5([C@H](C(=O)O3)O)O)CO6)O)O)C)O |
Product Overview
Pasakbumin-B (CAS 138683-58-6), with molecular formula C20H24O10 and molecular weight 424.14 g/mol. IUPAC: (4S,5S,6S,7S,8R,11R,13S,17S,18S,19S)-4,5,7,8,17-pentahydroxy-14,18-dimethylspiro[2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione.
Chemical Property Profile of Pasakbumin-B
Property Insights of Pasakbumin-B
The XLogP value of -2.8203 indicates that Pasakbumin-B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.28 Ų indicates high polarity, suggesting Pasakbumin-B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pasakbumin-B has 5 hydrogen bond donor(s) and 10 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 Pasakbumin-B?
The CAS number of Pasakbumin-B is 138683-58-6.
What is the molecular formula of Pasakbumin-B?
The molecular formula of Pasakbumin-B is C20H24O10.
What is the molecular weight of Pasakbumin-B?
The molecular weight of Pasakbumin-B is 424.14 g/mol.
Where can I buy Pasakbumin-B?
You can request a quote for Pasakbumin-B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pasakbumin-B?
Yes, KEHONG BIO provides custom synthesis services for Pasakbumin-B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.