NCIOpen2_007996
TL;DR: NCIOpen2_007996 (CAS 6970-69-0) is a chemical compound with molecular formula C18H20N6O2S and molecular weight 384.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-oxo-1-[2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]sulfanyl-N-(pyridin-3-ylmethylideneamino)propanamide
Also Known As: NCIOpen2_007996, 2-[1-oxo-1-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]propa, 2-[1-oxo-1-[2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]sulfanyl-N-(pyridin-3-ylmethylideneamino)propanamide, N-((PYRIDIN-3-YL)METHYLIDENEAMINO)-2-[1-[((PYRIDIN-3-YL)METHYLIDENEAMINO)CARBAMOYL]ETHYLSULFANYL]PROPANAMIDE
| Molecular Formula | C18H20N6O2S |
|---|---|
| Molecular Weight | 384.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 384.13684 |
| Heavy Atoms | 27 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 6970-69-0 |
|---|---|
| SMILES | CC(C(=O)NN=CC1=CN=CC=C1)SC(C)C(=O)NN=CC2=CN=CC=C2 |
| InChIKey | KLEBRGPHTATJPG-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007996 (CAS 6970-69-0), with molecular formula C18H20N6O2S and molecular weight 384.14 g/mol. IUPAC: 2-[1-oxo-1-[2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]sulfanyl-N-(pyridin-3-ylmethylideneamino)propanamide.
Chemical Property Profile of NCIOpen2_007996
Property Insights of NCIOpen2_007996
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_007996. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_007996. Following Lipinski's Rule of Five, NCIOpen2_007996 has 2 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 NCIOpen2_007996?
The CAS number of NCIOpen2_007996 is 6970-69-0.
What is the molecular formula of NCIOpen2_007996?
The molecular formula of NCIOpen2_007996 is C18H20N6O2S.
What is the molecular weight of NCIOpen2_007996?
The molecular weight of NCIOpen2_007996 is 384.14 g/mol.
Where can I buy NCIOpen2_007996?
You can request a quote for NCIOpen2_007996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007996?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.