Nimbandiol
TL;DR: Nimbandiol (CAS 78916-53-7) is a chemical compound with molecular formula C26H32O7 and molecular weight 456.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1S,2R,3S,4R,8S,9S,10R,13R,15S)-13-(furan-3-yl)-2,4-dihydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-dien-9-yl]acetate
Also Known As: Methyl [(2R,3aS,4aS,5R,5aS,6R,9aS,10S,10aR)-2-(furan-3-yl)-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-10-yl]acetate, Methyl [2-(furan-3-yl)-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-10-yl]acetate, methyl 2-((1S,2R,3S,4R,8S,9S,10R,13R,15S)-13-(furan-3-yl)-2,4-dihydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo(8.6.0.03,8.011,15)hexadeca-5,11-dien-9-yl)acetate, methyl 2-(2-(furan-3-yl)-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-10-yl)acetate, methyl 2-[(1S,2R,3S,4R,8S,9S,10R,13R,15S)-13-(furan-3-yl)-2,4-dihydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-dien-9-yl]acetate
| Molecular Formula | C26H32O7 |
|---|---|
| Molecular Weight | 456.21 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.2148 |
| Heavy Atoms | 33 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 78916-53-7 |
|---|---|
| SMILES | CC1=C2[C@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@]5([C@@H]([C@H]4O)[C@](C=CC5=O)(C)O)C)CC(=O)OC)C |
| InChIKey | PFQPGZDVNHHXLR-DRHPPGAKSA-N |
Product Overview
Nimbandiol (CAS 78916-53-7), with molecular formula C26H32O7 and molecular weight 456.21 g/mol. IUPAC: methyl 2-[(1S,2R,3S,4R,8S,9S,10R,13R,15S)-13-(furan-3-yl)-2,4-dihydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-dien-9-yl]acetate.
Chemical Property Profile of Nimbandiol
Property Insights of Nimbandiol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nimbandiol. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nimbandiol. Following Lipinski's Rule of Five, Nimbandiol has 2 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 Nimbandiol?
The CAS number of Nimbandiol is 78916-53-7.
What is the molecular formula of Nimbandiol?
The molecular formula of Nimbandiol is C26H32O7.
What is the molecular weight of Nimbandiol?
The molecular weight of Nimbandiol is 456.21 g/mol.
Where can I buy Nimbandiol?
You can request a quote for Nimbandiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nimbandiol?
Yes, KEHONG BIO provides custom synthesis services for Nimbandiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.