长春内日定
TL;DR: 长春内日定 (CAS 3489-06-3) is a chemical compound with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
长春内日定
methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
Also Known As: Vineridine, Isocaboxine A, Vineridin, 7-Epivinerine, methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
| Molecular Formula | C22H26N2O5 |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.18417 |
| Heavy Atoms | 29 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 3489-06-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CC[C@@]4([C@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=C(C=C(C=C5)OC)NC4=O |
| InChIKey | SRKHGHLMEDVZRX-PNGOUSOWSA-N |
Product Overview
长春内日定 (CAS 3489-06-3), with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol. IUPAC: methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate.
Chemical Property Profile of 长春内日定
Property Insights of 长春内日定
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 长春内日定. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 长春内日定. Following Lipinski's Rule of Five, 长春内日定 has 1 hydrogen bond donor(s) and 6 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 长春内日定?
The CAS number of 长春内日定 is 3489-06-3.
What is the molecular formula of 长春内日定?
The molecular formula of 长春内日定 is C22H26N2O5.
What is the molecular weight of 长春内日定?
The molecular weight of 长春内日定 is 398.18 g/mol.
Where can I buy 长春内日定?
You can request a quote for 长春内日定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 长春内日定?
Yes, KEHONG BIO provides custom synthesis services for 长春内日定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.