Amphibine A
TL;DR: Amphibine A (CAS 36535-97-4) is a chemical compound with molecular formula C33H43N5O4 and molecular weight 573.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide
Also Known As: Amphibine A, Discarine A, (2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide, (2S)-2-(dimethylamino)-3-(1H-indol-3-yl)-N-[(2Z,6S,9S,10S)-10-isopropyl-6-[(1S)-1-methylpropyl]-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]propanamide, (2S)-N-[(2Z,6S,9S,10S)-6-[(2S)-butan-2-yl]-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide
| Molecular Formula | C33H43N5O4 |
|---|---|
| Molecular Weight | 573.33 g/mol |
| LogP | 3.8604 |
| Topological Polar Surface Area | 115.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 573.3315 |
| Heavy Atoms | 42 |
| Complexity | 1411.3217 |
Chemical Identifiers
| CAS Number | 36535-97-4 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)N/C=C\C2=CC=C(C=C2)O[C@H]([C@@H](C(=O)N1)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N(C)C)C(C)C |
Product Overview
Amphibine A (CAS 36535-97-4), with molecular formula C33H43N5O4 and molecular weight 573.33 g/mol. IUPAC: (2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide.
Chemical Property Profile of Amphibine A
Property Insights of Amphibine A
The XLogP value of 3.8604 indicates that Amphibine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Amphibine A. Following Lipinski's Rule of Five, Amphibine A has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amphibine A?
The CAS number of Amphibine A is 36535-97-4.
What is the molecular formula of Amphibine A?
The molecular formula of Amphibine A is C33H43N5O4.
What is the molecular weight of Amphibine A?
The molecular weight of Amphibine A is 573.33 g/mol.
Where can I buy Amphibine A?
You can request a quote for Amphibine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amphibine A?
Yes, KEHONG BIO provides custom synthesis services for Amphibine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.