OBABERINE
TL;DR: OBABERINE (CAS 1263-80-5) is a chemical compound with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,14S)-6,20,21,25-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene
Also Known As: OBABERINE, (+)-obaberine, Oxyacanthan, 6,6'7,12'-tetramethoxy-2,2'-dimethyl-, 6,6',7,12'-tetramethoxy-2,2'-dimethyloxyacanthan, 6,6 ,7,12 -Tetramethoxy-2,2 -dimethyloxyacanthan
| Molecular Formula | C38H42N2O6 |
|---|---|
| Molecular Weight | 622.30 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 622.30426 |
| Heavy Atoms | 46 |
| Complexity | 979.0 |
Chemical Identifiers
| CAS Number | 1263-80-5 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC |
| InChIKey | FBCXFKWMGIWMJQ-IHLOFXLRSA-N |
Product Overview
OBABERINE (CAS 1263-80-5), with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol. IUPAC: (1R,14S)-6,20,21,25-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene.
Chemical Property Profile of OBABERINE
Property Insights of OBABERINE
The XLogP value of 6.7 indicates that OBABERINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for OBABERINE. Following Lipinski's Rule of Five, OBABERINE has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of OBABERINE?
The CAS number of OBABERINE is 1263-80-5.
What is the molecular formula of OBABERINE?
The molecular formula of OBABERINE is C38H42N2O6.
What is the molecular weight of OBABERINE?
The molecular weight of OBABERINE is 622.30 g/mol.
Where can I buy OBABERINE?
You can request a quote for OBABERINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for OBABERINE?
Yes, KEHONG BIO provides custom synthesis services for OBABERINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.