细枝豆碱
TL;DR: 细枝豆碱 (CAS 2122-29-4) is a chemical compound with molecular formula C15H26N2O and molecular weight 250.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
细枝豆碱
(1R,2S,3S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-3-ol
Also Known As: Retamine, spartein-5-ol, Methyl-d3 radical, 7alpha-Spartein-5beta-ol, (1R,2S,3S,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadecan-3-ol
| Molecular Formula | C15H26N2O |
|---|---|
| Molecular Weight | 250.20 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.20451 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 2122-29-4 |
|---|---|
| SMILES | C1CCN2C[C@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3[C@H](CCC4)O |
| InChIKey | JMXNBIDTNISOTA-AICCOOGYSA-N |
Product Overview
细枝豆碱 (CAS 2122-29-4), with molecular formula C15H26N2O and molecular weight 250.20 g/mol. IUPAC: (1R,2S,3S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-3-ol.
Chemical Property Profile of 细枝豆碱
Property Insights of 细枝豆碱
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 细枝豆碱. With a topological polar surface area (TPSA) of 26.7 Ų, 细枝豆碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 细枝豆碱 has 1 hydrogen bond donor(s) and 3 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 细枝豆碱?
The CAS number of 细枝豆碱 is 2122-29-4.
What is the molecular formula of 细枝豆碱?
The molecular formula of 细枝豆碱 is C15H26N2O.
What is the molecular weight of 细枝豆碱?
The molecular weight of 细枝豆碱 is 250.20 g/mol.
Where can I buy 细枝豆碱?
You can request a quote for 细枝豆碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 细枝豆碱?
Yes, KEHONG BIO provides custom synthesis services for 细枝豆碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.