Bistratene B
TL;DR: Bistratene B (CAS 120853-14-7) is a chemical compound with molecular formula C42H70N2O9 and molecular weight 746.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-7-[2-[3-[[3-hydroxy-2-methyl-4-[[2-[3-methyl-6-[(E)-2-oxopent-3-enyl]oxan-2-yl]acetyl]amino]butanoyl]amino]propyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3,5-dimethylhept-3-en-2-yl] acetate
Also Known As: Bistratene B, [(E)-7-[2-[3-[[3-hydroxy-2-methyl-4-[[2-[3-methyl-6-[(E)-2-oxopent-3-enyl]oxan-2-yl]acetyl]amino]butanoyl]amino]propyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3,5-dimethylhept-3-en-2-yl] acetate, [(E)-7-[10-[3-[[3-hydroxy-2-methyl-4-[[2-[3-methyl-6-[(E)-2-oxopent-3-enyl]oxan-2-yl]acetyl]amino]butanoyl]amino]propyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]-3,5-dimethylhept-3-en-2-yl] acetate, 2,17,28-Trioxa-13,26-diazatricyclo(14.7.4.16,9)octacosane-14,25-dione, 18-(6-(acetyloxy)-3,5-dimethyl-4-heptenyl)-6-hydroxy-8,15,23-trimethyl-3-(2-oxo-3-pentenyl)-
| Molecular Formula | C42H70N2O9 |
|---|---|
| Molecular Weight | 746.51 g/mol |
| LogP | 6.4998 |
| Topological Polar Surface Area | 149.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 746.5081 |
| Heavy Atoms | 53 |
| Complexity | 1252.8358 |
Chemical Identifiers
| CAS Number | 120853-14-7 |
|---|---|
| SMILES | C/C=C/C(=O)CC1CCC(C(O1)CC(=O)NCC(C(C)C(=O)NCCCC2C(CCC3(O2)CCCC(O3)CCC(C)/C=C(\C)/C(C)OC(=O)C)C)O)C |
Product Overview
Bistratene B (CAS 120853-14-7), with molecular formula C42H70N2O9 and molecular weight 746.51 g/mol. IUPAC: [(E)-7-[2-[3-[[3-hydroxy-2-methyl-4-[[2-[3-methyl-6-[(E)-2-oxopent-3-enyl]oxan-2-yl]acetyl]amino]butanoyl]amino]propyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3,5-dimethylhept-3-en-2-yl] acetate.
Chemical Property Profile of Bistratene B
Property Insights of Bistratene B
The XLogP value of 6.4998 indicates that Bistratene B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.49 Ų indicates high polarity, suggesting Bistratene B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bistratene B has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bistratene B?
The CAS number of Bistratene B is 120853-14-7.
What is the molecular formula of Bistratene B?
The molecular formula of Bistratene B is C42H70N2O9.
What is the molecular weight of Bistratene B?
The molecular weight of Bistratene B is 746.51 g/mol.
Where can I buy Bistratene B?
You can request a quote for Bistratene B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bistratene B?
Yes, KEHONG BIO provides custom synthesis services for Bistratene B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.