Antramycin
TL;DR: Antramycin (CAS 4803-27-4) is a chemical compound with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
Also Known As: Antramycin, ANTHRAMYCIN, 3-(4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
| Molecular Formula | C16H17N3O4 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.12192 |
| Heavy Atoms | 23 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 4803-27-4 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)O)C=CC(=O)N)O |
| InChIKey | VGQOVCHZGQWAOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Antramycin (CAS 4803-27-4), with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol. IUPAC: 3-(4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide.
Chemical Property Profile of Antramycin
Property Insights of Antramycin
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antramycin. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Antramycin. Following Lipinski's Rule of Five, Antramycin has 4 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 Antramycin?
The CAS number of Antramycin is 4803-27-4.
What is the molecular formula of Antramycin?
The molecular formula of Antramycin is C16H17N3O4.
What is the molecular weight of Antramycin?
The molecular weight of Antramycin is 315.12 g/mol.
Where can I buy Antramycin?
You can request a quote for Antramycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antramycin?
Yes, KEHONG BIO provides custom synthesis services for Antramycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.