1,11a-Didehydroanhydroanthramycin
TL;DR: 1,11a-Didehydroanhydroanthramycin (CAS 77165-77-6) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-hydroxy-3-methyl-11-oxopyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
Also Known As: 1,11a-Didehydroanhydroanthramycin, 1,11a-Daa, J2.926.581J, (E)-3-(4-hydroxy-3-methyl-11-oxopyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide, 2-Propenamide, 3-(9-hydroxy-8-methyl-5-oxo-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (E)-
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 1.36022 |
| Topological Polar Surface Area | 97.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 1002.8454 |
Chemical Identifiers
| CAS Number | 77165-77-6 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)N3C=C(C=C3C=N2)/C=C/C(=O)N)O |
Product Overview
1,11a-Didehydroanhydroanthramycin (CAS 77165-77-6), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: (E)-3-(4-hydroxy-3-methyl-11-oxopyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide.
Chemical Property Profile of 1,11a-Didehydroanhydroanthramycin
Property Insights of 1,11a-Didehydroanhydroanthramycin
The XLogP value of 1.36022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,11a-Didehydroanhydroanthramycin. The TPSA of 97.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,11a-Didehydroanhydroanthramycin. Following Lipinski's Rule of Five, 1,11a-Didehydroanhydroanthramycin has 2 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 1,11a-Didehydroanhydroanthramycin?
The CAS number of 1,11a-Didehydroanhydroanthramycin is 77165-77-6.
What is the molecular formula of 1,11a-Didehydroanhydroanthramycin?
The molecular formula of 1,11a-Didehydroanhydroanthramycin is C16H13N3O3.
What is the molecular weight of 1,11a-Didehydroanhydroanthramycin?
The molecular weight of 1,11a-Didehydroanhydroanthramycin is 295.10 g/mol.
Where can I buy 1,11a-Didehydroanhydroanthramycin?
You can request a quote for 1,11a-Didehydroanhydroanthramycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,11a-Didehydroanhydroanthramycin?
Yes, KEHONG BIO provides custom synthesis services for 1,11a-Didehydroanhydroanthramycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.