Porothramycin
TL;DR: Porothramycin (CAS 110652-73-8) is a chemical compound with molecular formula C18H21N3O4 and molecular weight 343.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[(6R)-6-hydroxy-4-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethylprop-2-enamide
Also Known As: Porothramycin A, Porothramycin, (E)-3-[(6R)-6-hydroxy-4-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethylprop-2-enamide, 2-Propenamide, N,N-dimethyl-3-(5,10,11,11a-tetrahydro-11-hydroxy-9-methoxy-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (11R-(2(E),11-alpha,11a-beta))-
| Molecular Formula | C18H21N3O4 |
|---|---|
| Molecular Weight | 343.15 g/mol |
| LogP | 1.1819 |
| Topological Polar Surface Area | 82.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.1532 |
| Heavy Atoms | 25 |
| Complexity | 769.5847 |
Chemical Identifiers
| CAS Number | 110652-73-8 |
|---|---|
| SMILES | CN(C)C(=O)/C=C/C1=CN2C(C1)[C@H](NC3=C(C2=O)C=CC=C3OC)O |
Product Overview
Porothramycin (CAS 110652-73-8), with molecular formula C18H21N3O4 and molecular weight 343.15 g/mol. IUPAC: (E)-3-[(6R)-6-hydroxy-4-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethylprop-2-enamide.
Chemical Property Profile of Porothramycin
Property Insights of Porothramycin
The XLogP value of 1.1819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Porothramycin. The TPSA of 82.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Porothramycin. Following Lipinski's Rule of Five, Porothramycin has 2 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 Porothramycin?
The CAS number of Porothramycin is 110652-73-8.
What is the molecular formula of Porothramycin?
The molecular formula of Porothramycin is C18H21N3O4.
What is the molecular weight of Porothramycin?
The molecular weight of Porothramycin is 343.15 g/mol.
Where can I buy Porothramycin?
You can request a quote for Porothramycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Porothramycin?
Yes, KEHONG BIO provides custom synthesis services for Porothramycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.