蔓长春碱
TL;DR: 蔓长春碱 (CAS 2182-14-1) is a chemical compound with molecular formula C25H32N2O6 and molecular weight 456.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蔓长春碱
methyl (1R,9R,10S,11R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Also Known As: Vindoline, Vindolin, EX-A7779K, methyl acetoxy-ethyl-hydroxy-methoxy-methyl-[?]carboxylate, Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12beta,19alpha)-
| Molecular Formula | C25H32N2O6 |
|---|---|
| Molecular Weight | 456.23 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.22604 |
| Heavy Atoms | 33 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 2182-14-1 |
|---|---|
| SMILES | CCC12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C |
| InChIKey | CXBGOBGJHGGWIE-KKFURDAFSA-N |
Product Overview
蔓长春碱 (CAS 2182-14-1), with molecular formula C25H32N2O6 and molecular weight 456.23 g/mol. IUPAC: methyl (1R,9R,10S,11R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate.
Chemical Property Profile of 蔓长春碱
Property Insights of 蔓长春碱
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蔓长春碱. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 蔓长春碱. Following Lipinski's Rule of Five, 蔓长春碱 has 1 hydrogen bond donor(s) and 8 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 蔓长春碱?
The CAS number of 蔓长春碱 is 2182-14-1.
What is the molecular formula of 蔓长春碱?
The molecular formula of 蔓长春碱 is C25H32N2O6.
What is the molecular weight of 蔓长春碱?
The molecular weight of 蔓长春碱 is 456.23 g/mol.
Where can I buy 蔓长春碱?
You can request a quote for 蔓长春碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蔓长春碱?
Yes, KEHONG BIO provides custom synthesis services for 蔓长春碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.