Manzamine A
TL;DR: Manzamine A (CAS 104196-68-1) is a chemical compound with molecular formula C36H44N4O and molecular weight 548.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,12R,13S)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
Also Known As: Manzamine A, NCI60_024971, (1R,2R,12R,13S)-25-(9H-Pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
| Molecular Formula | C36H44N4O |
|---|---|
| Molecular Weight | 548.35 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 548.3515 |
| Heavy Atoms | 41 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 104196-68-1 |
|---|---|
| SMILES | C1CCN2CC[C@H]3C(=C[C@@](CCC=CC1)([C@H]4[C@]3(C2)CC5N4CCCCC=C5)O)C6=NC=CC7=C6NC8=CC=CC=C78 |
| InChIKey | FUCSLKWLLSEMDQ-WLGHZTCFSA-N |
Product Overview
Manzamine A (CAS 104196-68-1), with molecular formula C36H44N4O and molecular weight 548.35 g/mol. IUPAC: (1R,2R,12R,13S)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol.
Chemical Property Profile of Manzamine A
Property Insights of Manzamine A
The XLogP value of 5.7 indicates that Manzamine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Manzamine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Manzamine A has 2 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 Manzamine A?
The CAS number of Manzamine A is 104196-68-1.
What is the molecular formula of Manzamine A?
The molecular formula of Manzamine A is C36H44N4O.
What is the molecular weight of Manzamine A?
The molecular weight of Manzamine A is 548.35 g/mol.
Where can I buy Manzamine A?
You can request a quote for Manzamine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Manzamine A?
Yes, KEHONG BIO provides custom synthesis services for Manzamine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.