Porothramycin B
TL;DR: Porothramycin B (CAS 110652-72-7) is a chemical compound with molecular formula C19H23N3O4 and molecular weight 357.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-dimethoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)-N,N-dimethylprop-2-enamide
Also Known As: Porothramycin B, (E)-3-[(6R)-4,6-dimethoxy-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-9,11-dimethoxy-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (11R-(2(E),11-alpha,11a-beta))-, 3-(4,6-dimethoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo(2,1-c)(1,4)benzodiazepin-8-yl)-N,N-dimethylprop-2-enamide, 3-(4,6-dimethoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)-N,N-dimethylprop-2-enamide
| Molecular Formula | C19H23N3O4 |
|---|---|
| Molecular Weight | 357.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.16885 |
| Heavy Atoms | 26 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 110652-72-7 |
|---|---|
| SMILES | CN(C)C(=O)C=CC1=CN2C(C1)C(NC3=C(C2=O)C=CC=C3OC)OC |
| InChIKey | XCFSBOSFMAOQAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Porothramycin B (CAS 110652-72-7), with molecular formula C19H23N3O4 and molecular weight 357.17 g/mol. IUPAC: 3-(4,6-dimethoxy-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 B
Property Insights of Porothramycin B
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Porothramycin B. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Porothramycin B. Following Lipinski's Rule of Five, Porothramycin B 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 Porothramycin B?
The CAS number of Porothramycin B is 110652-72-7.
What is the molecular formula of Porothramycin B?
The molecular formula of Porothramycin B is C19H23N3O4.
What is the molecular weight of Porothramycin B?
The molecular weight of Porothramycin B is 357.17 g/mol.
Where can I buy Porothramycin B?
You can request a quote for Porothramycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Porothramycin B?
Yes, KEHONG BIO provides custom synthesis services for Porothramycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.