NCI60_036778
TL;DR: NCI60_036778 (CAS 132391-70-9) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Also Known As: NCI60_036778, (11aS)-7-Methoxy-8-hydroxy-1,2,3,10,11,11abeta-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione, (11aS)-7-Methoxy-8-hydroxy-2,3,5,10,11,11abeta-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione, (11as)-8-hydroxy-7-methoxy-2,3-dihydro-1h-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10h,11ah)-dione, (6aS)-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 132391-70-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C(=O)N2)O |
| InChIKey | COBSHTCVQBUXRU-VIFPVBQESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCI60_036778 (CAS 132391-70-9), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: (6aS)-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione.
Chemical Property Profile of NCI60_036778
Property Insights of NCI60_036778
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_036778. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_036778. Following Lipinski's Rule of Five, NCI60_036778 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 NCI60_036778?
The CAS number of NCI60_036778 is 132391-70-9.
What is the molecular formula of NCI60_036778?
The molecular formula of NCI60_036778 is C13H14N2O4.
What is the molecular weight of NCI60_036778?
The molecular weight of NCI60_036778 is 262.10 g/mol.
Where can I buy NCI60_036778?
You can request a quote for NCI60_036778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_036778?
Yes, KEHONG BIO provides custom synthesis services for NCI60_036778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.