Amphibine B
TL;DR: Amphibine B (CAS 38541-74-1) is a chemical compound with molecular formula C39H47N5O5 and molecular weight 665.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3S)-1-[(3S,7S,10S,13Z)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanamide
Also Known As: Amphibine B, 3-aminocyclohexane-carboxylic acid, (2S)-N-[(2S,3S)-1-[(3S,7S,10S,13Z)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanamide, (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, Benzenepropanamide, .alpha.-(dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-(phenylmethyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]-
| Molecular Formula | C39H47N5O5 |
|---|---|
| Molecular Weight | 665.36 g/mol |
| LogP | 3.5667 |
| Topological Polar Surface Area | 120.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 665.3577 |
| Heavy Atoms | 49 |
| Complexity | 1611.7173 |
Chemical Identifiers
| CAS Number | 38541-74-1 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C(=O)N[C@H](C(=O)N/C=C\C3=CC=C(O2)C=C3)CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)N(C)C |
Product Overview
Amphibine B (CAS 38541-74-1), with molecular formula C39H47N5O5 and molecular weight 665.36 g/mol. IUPAC: (2S)-N-[(2S,3S)-1-[(3S,7S,10S,13Z)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanamide.
Chemical Property Profile of Amphibine B
Property Insights of Amphibine B
The XLogP value of 3.5667 indicates that Amphibine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Amphibine B. Following Lipinski's Rule of Five, Amphibine B has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amphibine B?
The CAS number of Amphibine B is 38541-74-1.
What is the molecular formula of Amphibine B?
The molecular formula of Amphibine B is C39H47N5O5.
What is the molecular weight of Amphibine B?
The molecular weight of Amphibine B is 665.36 g/mol.
Where can I buy Amphibine B?
You can request a quote for Amphibine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amphibine B?
Yes, KEHONG BIO provides custom synthesis services for Amphibine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.