11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr
TL;DR: 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr (CAS 70779-56-5) is a chemical compound with molecular formula C20H19NO6 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 16-(2-methoxy-2-oxoethyl)-2,9-dioxo-11-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraene-16-carboxylate
Also Known As: 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr, Methyl 11-(2-methoxy-2-oxoethyl)-5,10-dioxo-2,3,5,10,11,11a-hexahydro-1H-benzo[f]pyrrolo[1,2-a]indole-11-carboxylate, Methyl 16-(2-methoxy-2-oxoethyl)-2,9-dioxo-11-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraene-16-carboxylate
| Molecular Formula | C20H19NO6 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.12125 |
| Heavy Atoms | 27 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 70779-56-5 |
|---|---|
| SMILES | COC(=O)CC1(C2CCCN2C3=C1C(=O)C4=CC=CC=C4C3=O)C(=O)OC |
| InChIKey | VGYNDTWNLVWXNN-UHFFFAOYSA-N |
Product Overview
11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr (CAS 70779-56-5), with molecular formula C20H19NO6 and molecular weight 369.12 g/mol. IUPAC: methyl 16-(2-methoxy-2-oxoethyl)-2,9-dioxo-11-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraene-16-carboxylate.
Chemical Property Profile of 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr
Property Insights of 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr. Following Lipinski's Rule of Five, 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr has 0 hydrogen bond donor(s) and 7 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 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr?
The CAS number of 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr is 70779-56-5.
What is the molecular formula of 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr?
The molecular formula of 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr is C20H19NO6.
What is the molecular weight of 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr?
The molecular weight of 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr is 369.12 g/mol.
Where can I buy 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr?
You can request a quote for 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr?
Yes, KEHONG BIO provides custom synthesis services for 11-carboxy-2,3,5,10,11,11a-hexahydro-5,10-dioxo-1H-benzopyrr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.