NCI60_034904
TL;DR: NCI60_034904 (CAS 84379-11-3) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-2-amino-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Also Known As: NCI60_034904, (S)-7-amino-2,3-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H,11aH)-dione, (6aS)-2-amino-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 84379-11-3 |
|---|---|
| SMILES | C1C[C@H]2C(=O)NC3=C(C=C(C=C3)N)C(=O)N2C1 |
| InChIKey | WDHUXFHNWXKSAU-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCI60_034904 (CAS 84379-11-3), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: (6aS)-2-amino-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione.
Chemical Property Profile of NCI60_034904
Property Insights of NCI60_034904
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_034904. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_034904. Following Lipinski's Rule of Five, NCI60_034904 has 2 hydrogen bond donor(s) and 3 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_034904?
The CAS number of NCI60_034904 is 84379-11-3.
What is the molecular formula of NCI60_034904?
The molecular formula of NCI60_034904 is C12H13N3O2.
What is the molecular weight of NCI60_034904?
The molecular weight of NCI60_034904 is 231.10 g/mol.
Where can I buy NCI60_034904?
You can request a quote for NCI60_034904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_034904?
Yes, KEHONG BIO provides custom synthesis services for NCI60_034904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.