Methyl 11,12-dibromo-3,9-epoxycholan-24-oate
TL;DR: Methyl 11,12-dibromo-3,9-epoxycholan-24-oate (CAS 26579-54-4) is a chemical compound with molecular formula C25H38Br2O3 and molecular weight 544.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,3-dibromo-4,17-dimethyl-18-oxapentacyclo[12.3.1.01,9.04,8.012,17]octadecan-5-yl)pentanoate
Also Known As: methyl 11,12-dibromo-3,9-epoxycholan-24-oate, NCI60_001875, methyl 4-(2,3-dibromo-4,17-dimethyl-18-oxapentacyclo[12.3.1.01,9.04,8.012,17]octadecan-5-yl)pentanoate
| Molecular Formula | C25H38Br2O3 |
|---|---|
| Molecular Weight | 544.12 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 544.1188 |
| Heavy Atoms | 30 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 26579-54-4 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(C(C34C2CCC5C3(CCC(C5)O4)C)Br)Br)C |
| InChIKey | XRRHDGKBIMJRKD-UHFFFAOYSA-N |
Product Overview
Methyl 11,12-dibromo-3,9-epoxycholan-24-oate (CAS 26579-54-4), with molecular formula C25H38Br2O3 and molecular weight 544.12 g/mol. IUPAC: methyl 4-(2,3-dibromo-4,17-dimethyl-18-oxapentacyclo[12.3.1.01,9.04,8.012,17]octadecan-5-yl)pentanoate.
Chemical Property Profile of Methyl 11,12-dibromo-3,9-epoxycholan-24-oate
Property Insights of Methyl 11,12-dibromo-3,9-epoxycholan-24-oate
The XLogP value of 6.9 indicates that Methyl 11,12-dibromo-3,9-epoxycholan-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 11,12-dibromo-3,9-epoxycholan-24-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 11,12-dibromo-3,9-epoxycholan-24-oate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 11,12-dibromo-3,9-epoxycholan-24-oate?
The CAS number of Methyl 11,12-dibromo-3,9-epoxycholan-24-oate is 26579-54-4.
What is the molecular formula of Methyl 11,12-dibromo-3,9-epoxycholan-24-oate?
The molecular formula of Methyl 11,12-dibromo-3,9-epoxycholan-24-oate is C25H38Br2O3.
What is the molecular weight of Methyl 11,12-dibromo-3,9-epoxycholan-24-oate?
The molecular weight of Methyl 11,12-dibromo-3,9-epoxycholan-24-oate is 544.12 g/mol.
Where can I buy Methyl 11,12-dibromo-3,9-epoxycholan-24-oate?
You can request a quote for Methyl 11,12-dibromo-3,9-epoxycholan-24-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 11,12-dibromo-3,9-epoxycholan-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 11,12-dibromo-3,9-epoxycholan-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.