16-甲氧基水甘草碱
TL;DR: 16-甲氧基水甘草碱 (CAS 27773-39-3) is a chemical compound with molecular formula C22H26N2O3 and molecular weight 366.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-甲氧基水甘草碱
methyl 12-ethyl-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
Also Known As: Methyl 12-ethyl-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate, Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-16-methoxy-, methyl ester, (5, A)-, Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-16-methoxy-, methyl ester, (5alpha,12R,19alpha)-, Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-16-methoxy-, methyl ester, (5
| Molecular Formula | C22H26N2O3 |
|---|---|
| Molecular Weight | 366.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.19434 |
| Heavy Atoms | 27 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 27773-39-3 |
|---|---|
| SMILES | CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=C(N3)C=C(C=C5)OC)C(=O)OC |
| InChIKey | AEXBRBWRPNGGEZ-UHFFFAOYSA-N |
Product Overview
16-甲氧基水甘草碱 (CAS 27773-39-3), with molecular formula C22H26N2O3 and molecular weight 366.19 g/mol. IUPAC: methyl 12-ethyl-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate.
Chemical Property Profile of 16-甲氧基水甘草碱
Property Insights of 16-甲氧基水甘草碱
The XLogP value of 3.3 indicates that 16-甲氧基水甘草碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 16-甲氧基水甘草碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-甲氧基水甘草碱 has 1 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 16-甲氧基水甘草碱?
The CAS number of 16-甲氧基水甘草碱 is 27773-39-3.
What is the molecular formula of 16-甲氧基水甘草碱?
The molecular formula of 16-甲氧基水甘草碱 is C22H26N2O3.
What is the molecular weight of 16-甲氧基水甘草碱?
The molecular weight of 16-甲氧基水甘草碱 is 366.19 g/mol.
Where can I buy 16-甲氧基水甘草碱?
You can request a quote for 16-甲氧基水甘草碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-甲氧基水甘草碱?
Yes, KEHONG BIO provides custom synthesis services for 16-甲氧基水甘草碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.