翘裂盾籽木碱
TL;DR: 翘裂盾籽木碱 (CAS 2348-67-6) is a chemical compound with molecular formula C22H26N2O3 and molecular weight 366.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
翘裂盾籽木碱
methyl (1R,9R,16R,18R,21S)-2-formyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
Also Known As: Aspidofractine, N-Formylkopsine, Methyl 1-formylaspidofractinine-3-carboxylate, methyl (1R,9R,16R,18R,21S)-2-formyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate, Methyl 1-formyl-2beta,5beta-aspidofractinine-3beta-carboxylate
| Molecular Formula | C22H26N2O3 |
|---|---|
| Molecular Weight | 366.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.19434 |
| Heavy Atoms | 27 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 2348-67-6 |
|---|---|
| SMILES | COC(=O)[C@@H]1C[C@]23CCCN4[C@@H]2[C@@]5([C@]1(CC3)N(C6=CC=CC=C65)C=O)CC4 |
| InChIKey | XGYZDZNXCXHGBV-WVCANSMHSA-N |
Product Overview
翘裂盾籽木碱 (CAS 2348-67-6), with molecular formula C22H26N2O3 and molecular weight 366.19 g/mol. IUPAC: methyl (1R,9R,16R,18R,21S)-2-formyl-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate.
Chemical Property Profile of 翘裂盾籽木碱
Property Insights of 翘裂盾籽木碱
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 翘裂盾籽木碱. With a topological polar surface area (TPSA) of 49.9 Ų, 翘裂盾籽木碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 翘裂盾籽木碱 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 翘裂盾籽木碱?
The CAS number of 翘裂盾籽木碱 is 2348-67-6.
What is the molecular formula of 翘裂盾籽木碱?
The molecular formula of 翘裂盾籽木碱 is C22H26N2O3.
What is the molecular weight of 翘裂盾籽木碱?
The molecular weight of 翘裂盾籽木碱 is 366.19 g/mol.
Where can I buy 翘裂盾籽木碱?
You can request a quote for 翘裂盾籽木碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 翘裂盾籽木碱?
Yes, KEHONG BIO provides custom synthesis services for 翘裂盾籽木碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.