Antibiotic DC 81
TL;DR: Antibiotic DC 81 (CAS 81307-24-6) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: Antibiotic DC 81, DC 81, 3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one, (+)-1,2,3,11a-Tetrahydro-8-hydroxy-7-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-8-hydroxy-7-methoxy-, (+)-
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 81307-24-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)O |
| InChIKey | LQDGLTOVYOUCRG-UHFFFAOYSA-N |
Product Overview
Antibiotic DC 81 (CAS 81307-24-6), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of Antibiotic DC 81
Property Insights of Antibiotic DC 81
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antibiotic DC 81. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Antibiotic DC 81. Following Lipinski's Rule of Five, Antibiotic DC 81 has 1 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 Antibiotic DC 81?
The CAS number of Antibiotic DC 81 is 81307-24-6.
What is the molecular formula of Antibiotic DC 81?
The molecular formula of Antibiotic DC 81 is C13H14N2O3.
What is the molecular weight of Antibiotic DC 81?
The molecular weight of Antibiotic DC 81 is 246.10 g/mol.
Where can I buy Antibiotic DC 81?
You can request a quote for Antibiotic DC 81 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic DC 81?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic DC 81 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.