Pandamine
TL;DR: Pandamine (CAS 10233-81-5) is a chemical compound with molecular formula C31H44N4O5 and molecular weight 552.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-N-[(3S,4S,7S)-7-benzyl-11-hydroxy-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-2-(dimethylamino)-3-methylpentanamide
Also Known As: Pandamine, (2S,3S)-N-[(3S,4S,7S)-7-benzyl-11-hydroxy-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-2-(dimethylamino)-3-methylpentanamide, (2S,3S)-N-[(6S,9S,10S)-6-benzyl-2-hydroxy-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]-2-(dimethylamino)-3-methyl-pentanamide, (2S,3S)-N-[(6S,9S,10S)-6-benzyl-2-hydroxy-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]-2-(dimethylamino)-3-methylpentanamide, (2S,3S)-N-((3S,4S,7S,11R)-7-Benzyl-5,8,11-trihydroxy-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-1(14),5,8,12,15-pentaen-4-yl)-2-(dimethylamino)-3-methylpentanimidate
| Molecular Formula | C31H44N4O5 |
|---|---|
| Molecular Weight | 552.33 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 552.3312 |
| Heavy Atoms | 40 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 10233-81-5 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@H]1[C@@H](OC2=CC=C(C=C2)C(CNC(=O)[C@@H](NC1=O)CC3=CC=CC=C3)O)C(C)C)N(C)C |
| InChIKey | STKZKAJIJHJDCQ-CVCFRWPJSA-N |
Product Overview
Pandamine (CAS 10233-81-5), with molecular formula C31H44N4O5 and molecular weight 552.33 g/mol. IUPAC: (2S,3S)-N-[(3S,4S,7S)-7-benzyl-11-hydroxy-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-2-(dimethylamino)-3-methylpentanamide.
Chemical Property Profile of Pandamine
Property Insights of Pandamine
The XLogP value of 4.0 indicates that Pandamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pandamine. Following Lipinski's Rule of Five, Pandamine has 4 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 Pandamine?
The CAS number of Pandamine is 10233-81-5.
What is the molecular formula of Pandamine?
The molecular formula of Pandamine is C31H44N4O5.
What is the molecular weight of Pandamine?
The molecular weight of Pandamine is 552.33 g/mol.
Where can I buy Pandamine?
You can request a quote for Pandamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pandamine?
Yes, KEHONG BIO provides custom synthesis services for Pandamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.