Bipinnatin-A
TL;DR: Bipinnatin-A (CAS 99552-28-0) is a chemical compound with molecular formula C25H28O11 and molecular weight 504.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2S,4R,5R,14R)-2,5-diacetyloxy-7,12-dimethyl-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-4-yl]prop-2-enoate
Also Known As: Bipinnatin A, Bipinnatin-A, 11,16,18,19-Tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-4-acetic acid, 2,5-bis(acetyloxy)-7,12-dimethyl-alpha-methylene-17-oxo-, methyl ester, (1S-(1R*,2R*,4S*,5S*,10R*,12R*,14S*,15S*))-, Methyl 2-[(4~4~R,5S,7R,8R)-5,8-bis(acetyloxy)-1~4~,2~3~-dimethyl-4~2~-oxo-4~3~,4~6~-dioxa-1(2,5)-furana-2(2,3)-oxirana-4(4,1)-bicyclo[3.1.0]hexanacyclooctaphan-7-yl]prop-2-enoate, Methyl 2-[2,5-bis(acetyloxy)-7,12-dimethyl-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]nonadeca-6,8-dien-4-yl]prop-2-enoate
| Molecular Formula | C25H28O11 |
|---|---|
| Molecular Weight | 504.16 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.16315 |
| Heavy Atoms | 36 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 99552-28-0 |
|---|---|
| SMILES | CC1=C2[C@@H]([C@H](C[C@@H](C34C(O3)[C@@H](CC5(C(O5)C(=C1)O2)C)OC4=O)OC(=O)C)C(=C)C(=O)OC)OC(=O)C |
| InChIKey | SETTUTVEWZFWRZ-RTNZLAPYSA-N |
Product Overview
Bipinnatin-A (CAS 99552-28-0), with molecular formula C25H28O11 and molecular weight 504.16 g/mol. IUPAC: methyl 2-[(2S,4R,5R,14R)-2,5-diacetyloxy-7,12-dimethyl-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-4-yl]prop-2-enoate.
Chemical Property Profile of Bipinnatin-A
Property Insights of Bipinnatin-A
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bipinnatin-A. The TPSA of 143.0 Ų indicates high polarity, suggesting Bipinnatin-A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bipinnatin-A has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bipinnatin-A?
The CAS number of Bipinnatin-A is 99552-28-0.
What is the molecular formula of Bipinnatin-A?
The molecular formula of Bipinnatin-A is C25H28O11.
What is the molecular weight of Bipinnatin-A?
The molecular weight of Bipinnatin-A is 504.16 g/mol.
Where can I buy Bipinnatin-A?
You can request a quote for Bipinnatin-A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bipinnatin-A?
Yes, KEHONG BIO provides custom synthesis services for Bipinnatin-A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.