夏蜡梅碱
TL;DR: 夏蜡梅碱 (CAS 595-05-1) is a chemical compound with molecular formula C22H26N4 and molecular weight 346.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
夏蜡梅碱
(1S,2R,10S,11S)-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
Also Known As: Calycanthine
| Molecular Formula | C22H26N4 |
|---|---|
| Molecular Weight | 346.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 346.21576 |
| Heavy Atoms | 26 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 595-05-1 |
|---|---|
| SMILES | CN1CC[C@@]23[C@H]4NC5=CC=CC=C5[C@@]2([C@@H]1NC6=CC=CC=C36)CCN4C |
| InChIKey | XSYCDVWYEVUDKQ-CIAFKFPVSA-N |
Product Overview
夏蜡梅碱 (CAS 595-05-1), with molecular formula C22H26N4 and molecular weight 346.22 g/mol. IUPAC: (1S,2R,10S,11S)-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene.
Chemical Property Profile of 夏蜡梅碱
Property Insights of 夏蜡梅碱
The XLogP value of 3.9 indicates that 夏蜡梅碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, 夏蜡梅碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 夏蜡梅碱 has 2 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 夏蜡梅碱?
The CAS number of 夏蜡梅碱 is 595-05-1.
What is the molecular formula of 夏蜡梅碱?
The molecular formula of 夏蜡梅碱 is C22H26N4.
What is the molecular weight of 夏蜡梅碱?
The molecular weight of 夏蜡梅碱 is 346.22 g/mol.
Where can I buy 夏蜡梅碱?
You can request a quote for 夏蜡梅碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 夏蜡梅碱?
Yes, KEHONG BIO provides custom synthesis services for 夏蜡梅碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.