蝾螈定
TL;DR: 蝾螈定 (CAS 6384-73-2) is a chemical compound with molecular formula C21H31NO3 and molecular weight 345.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蝾螈定
(1S,2S,3S,6S,7R,11S,13S,14S,17R,19R)-2,6-dimethyl-10,22-dioxa-20-azahexacyclo[17.2.1.02,17.03,14.06,13.07,11]docosan-9-one
Also Known As: Samandaridin, Samandaridine, 4-27-00-06565 (Beilstein Handbook Reference), 3-Aza-A-homopregnan-21-oic acid, 1,4-epoxy-16-hydroxy-, gamma-lactone, (1-alpha,4-alpha-5-beta,16-beta)-, (2R,5S,5aS,5bS,7aS,7bR,10aS,11aS,11bS,13aR)-5a,7a-dimethyloctadecahydro-2,5-epoxyfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-9(1H)-one
| Molecular Formula | C21H31NO3 |
|---|---|
| Molecular Weight | 345.23 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 345.2304 |
| Heavy Atoms | 25 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 6384-73-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]4[C@@H]2CC(=O)O4)CC[C@H]5[C@@]3([C@H]6CN[C@@H](C5)O6)C |
| InChIKey | GUSZSGSYIVZEDM-ACYPXLHBSA-N |
Product Overview
蝾螈定 (CAS 6384-73-2), with molecular formula C21H31NO3 and molecular weight 345.23 g/mol. IUPAC: (1S,2S,3S,6S,7R,11S,13S,14S,17R,19R)-2,6-dimethyl-10,22-dioxa-20-azahexacyclo[17.2.1.02,17.03,14.06,13.07,11]docosan-9-one.
Chemical Property Profile of 蝾螈定
Property Insights of 蝾螈定
The XLogP value of 3.9 indicates that 蝾螈定 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 蝾螈定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 蝾螈定 has 1 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 蝾螈定?
The CAS number of 蝾螈定 is 6384-73-2.
What is the molecular formula of 蝾螈定?
The molecular formula of 蝾螈定 is C21H31NO3.
What is the molecular weight of 蝾螈定?
The molecular weight of 蝾螈定 is 345.23 g/mol.
Where can I buy 蝾螈定?
You can request a quote for 蝾螈定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蝾螈定?
Yes, KEHONG BIO provides custom synthesis services for 蝾螈定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.