胶藤胺
TL;DR: 胶藤胺 (CAS 6871-44-9) is a chemical compound with molecular formula C22H29N2O4+ and molecular weight 385.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胶藤胺
methyl 13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
Also Known As: Echitamine, B0005-148527, methyl (1S,9R,10S,12S,13E,18S)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.0^{1,9.0^{2,7.0^{9,15]octadeca-2,4,6-triene-18-carboxylate
| Molecular Formula | C22H29N2O4+ |
|---|---|
| Molecular Weight | 385.21 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.21274 |
| Heavy Atoms | 28 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 6871-44-9 |
|---|---|
| SMILES | CC=C1C[N+]2(CCC34C2(C(CC1C3(CO)C(=O)OC)O)NC5=CC=CC=C45)C |
| InChIKey | AFJPGVUCVDCFPM-UHFFFAOYSA-N |
Product Overview
胶藤胺 (CAS 6871-44-9), with molecular formula C22H29N2O4+ and molecular weight 385.21 g/mol. IUPAC: methyl 13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate.
Chemical Property Profile of 胶藤胺
Property Insights of 胶藤胺
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 胶藤胺. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 胶藤胺. Following Lipinski's Rule of Five, 胶藤胺 has 3 hydrogen bond donor(s) and 5 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 胶藤胺?
The CAS number of 胶藤胺 is 6871-44-9.
What is the molecular formula of 胶藤胺?
The molecular formula of 胶藤胺 is C22H29N2O4+.
What is the molecular weight of 胶藤胺?
The molecular weight of 胶藤胺 is 385.21 g/mol.
Where can I buy 胶藤胺?
You can request a quote for 胶藤胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胶藤胺?
Yes, KEHONG BIO provides custom synthesis services for 胶藤胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.