异烟棒曲霉素C
TL;DR: 异烟棒曲霉素C (CAS 58735-64-1) is a chemical compound with molecular formula C22H23N5O2 and molecular weight 389.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异烟棒曲霉素C
(1S,7S,9R)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Also Known As: (1S,4E,7S,9R)-4-(1H-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0(2),?.0(1)?,(1)?]hexadeca-10,12,14-triene-3,6-dione, (3E,5aS,10bR,11aS)-10b-(1,1-Dimethyl-2-propen-1-yl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-5-ylmethylene)-2H-pyrazino[1 inverted exclamation marka,2 inverted exclamation marka:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
| Molecular Formula | C22H23N5O2 |
|---|---|
| Molecular Weight | 389.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.18518 |
| Heavy Atoms | 29 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 58735-64-1 |
|---|---|
| SMILES | CC(C)(C=C)[C@@]12C[C@H]3C(=O)NC(=CC4=CN=CN4)C(=O)N3[C@@H]1NC5=CC=CC=C25 |
| InChIKey | SPWSUFUPTSJWNG-RBDMOPTHSA-N |
Product Overview
异烟棒曲霉素C (CAS 58735-64-1), with molecular formula C22H23N5O2 and molecular weight 389.19 g/mol. IUPAC: (1S,7S,9R)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione.
Chemical Property Profile of 异烟棒曲霉素C
Property Insights of 异烟棒曲霉素C
The XLogP value of 3.0 indicates that 异烟棒曲霉素C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 异烟棒曲霉素C. Following Lipinski's Rule of Five, 异烟棒曲霉素C has 3 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 异烟棒曲霉素C?
The CAS number of 异烟棒曲霉素C is 58735-64-1.
What is the molecular formula of 异烟棒曲霉素C?
The molecular formula of 异烟棒曲霉素C is C22H23N5O2.
What is the molecular weight of 异烟棒曲霉素C?
The molecular weight of 异烟棒曲霉素C is 389.19 g/mol.
Where can I buy 异烟棒曲霉素C?
You can request a quote for 异烟棒曲霉素C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异烟棒曲霉素C?
Yes, KEHONG BIO provides custom synthesis services for 异烟棒曲霉素C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.