Budmunchiamine A
TL;DR: Budmunchiamine A (CAS 139750-76-8) is a chemical compound with molecular formula C27H56N4O and molecular weight 452.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,9,13-trimethyl-8-undecyl-1,5,9,13-tetrazacycloheptadecan-6-one
Also Known As: Budmunchiamine A, (R)-(-)-Budmunchiamine A, NCI60_017555, J1.493.337I, J1.493.338G
| Molecular Formula | C27H56N4O |
|---|---|
| Molecular Weight | 452.45 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 452.4454 |
| Heavy Atoms | 32 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 139750-76-8 |
|---|---|
| SMILES | CCCCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1C)C)C |
| InChIKey | HQMOQVLQJSZUTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Budmunchiamine A (CAS 139750-76-8), with molecular formula C27H56N4O and molecular weight 452.45 g/mol. IUPAC: 1,9,13-trimethyl-8-undecyl-1,5,9,13-tetrazacycloheptadecan-6-one.
Chemical Property Profile of Budmunchiamine A
Property Insights of Budmunchiamine A
The XLogP value of 6.4 indicates that Budmunchiamine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Budmunchiamine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Budmunchiamine A has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Budmunchiamine A?
The CAS number of Budmunchiamine A is 139750-76-8.
What is the molecular formula of Budmunchiamine A?
The molecular formula of Budmunchiamine A is C27H56N4O.
What is the molecular weight of Budmunchiamine A?
The molecular weight of Budmunchiamine A is 452.45 g/mol.
Where can I buy Budmunchiamine A?
You can request a quote for Budmunchiamine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Budmunchiamine A?
Yes, KEHONG BIO provides custom synthesis services for Budmunchiamine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.