NCI60_034902
TL;DR: NCI60_034902 (CAS 78756-34-0) is a chemical compound with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-3-chloro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Also Known As: NCI60_034902, J2.095.922C, (11aS)-8-Chloro-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione, (6aS)-3-chloro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione, (7S)-12-chloro-3,9-diazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-triene-2,8-dione
| Molecular Formula | C12H11ClN2O2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.0509 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 78756-34-0 |
|---|---|
| SMILES | C1C[C@H]2C(=O)NC3=C(C=CC(=C3)Cl)C(=O)N2C1 |
| InChIKey | PUERSVHFINIUMP-JTQLQIEISA-N |
Product Overview
NCI60_034902 (CAS 78756-34-0), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: (6aS)-3-chloro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione.
Chemical Property Profile of NCI60_034902
Property Insights of NCI60_034902
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_034902. With a topological polar surface area (TPSA) of 49.4 Ų, NCI60_034902 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_034902 has 1 hydrogen bond donor(s) and 2 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_034902?
The CAS number of NCI60_034902 is 78756-34-0.
What is the molecular formula of NCI60_034902?
The molecular formula of NCI60_034902 is C12H11ClN2O2.
What is the molecular weight of NCI60_034902?
The molecular weight of NCI60_034902 is 250.05 g/mol.
Where can I buy NCI60_034902?
You can request a quote for NCI60_034902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_034902?
Yes, KEHONG BIO provides custom synthesis services for NCI60_034902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.