Abbeymycin
TL;DR: Abbeymycin (CAS 108073-64-9) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,6aS,8S)-8-hydroxy-6-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: Abbeymycin, (6S,6aS,8S)-8-hydroxy-6-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one, (6S,6aS,8S)-8-hydroxy-6-methoxy-5,6,6a,7,8,9-hexahydropyrrol, (2S,11S,11aS)-2-hydroxy-11-methoxy-1,2,3,10,11,11a-hexahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one, (2S,11S,11aS)-2-Hydroxy-11-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 108073-64-9 |
|---|---|
| SMILES | CO[C@H]1[C@@H]2C[C@@H](CN2C(=O)C3=CC=CC=C3N1)O |
| InChIKey | SSMFXCDUJJPFBJ-UWJYBYFXSA-N |
Product Overview
Abbeymycin (CAS 108073-64-9), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: (6S,6aS,8S)-8-hydroxy-6-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of Abbeymycin
Property Insights of Abbeymycin
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Abbeymycin. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Abbeymycin. Following Lipinski's Rule of Five, Abbeymycin 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 Abbeymycin?
The CAS number of Abbeymycin is 108073-64-9.
What is the molecular formula of Abbeymycin?
The molecular formula of Abbeymycin is C13H16N2O3.
What is the molecular weight of Abbeymycin?
The molecular weight of Abbeymycin is 248.12 g/mol.
Where can I buy Abbeymycin?
You can request a quote for Abbeymycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abbeymycin?
Yes, KEHONG BIO provides custom synthesis services for Abbeymycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.