NCI60_012627
TL;DR: NCI60_012627 (CAS 136445-69-7) is a chemical compound with molecular formula C17H24N8O6 and molecular weight 436.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 6a-amino-1,6-bis(carbamoylamino)-3a-cyano-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate
Also Known As: NCI60_012627, poly(1-vinylpyrrolidone)-graft-(1-triacontene), Diethyl 6a-amino-1,6-bis((aminocarbonyl)amino)-3a-cyano-2,5-dimethyl-1,3a,6,6a-tetrahydropyrrolo[2,3-b]pyrrole-3,4-dicarboxylate, diethyl 6a-amino-1,6-bis(carbamoylamino)-3a-cyano-2,5-dimethyl-1,3a,6,6a-tetrahydropyrrolo[2,3-b]pyrrole-3,4-dicarboxylate, diethyl 6a-amino-1,6-bis(carbamoylamino)-3a-cyano-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate
| Molecular Formula | C17H24N8O6 |
|---|---|
| Molecular Weight | 436.18 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 436.1819 |
| Heavy Atoms | 31 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 136445-69-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)N)C)C(=O)OCC)C#N)N)NC(=O)N)C |
| InChIKey | UFKDCMAMQUXQLZ-UHFFFAOYSA-N |
Product Overview
NCI60_012627 (CAS 136445-69-7), with molecular formula C17H24N8O6 and molecular weight 436.18 g/mol. IUPAC: diethyl 6a-amino-1,6-bis(carbamoylamino)-3a-cyano-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate.
Chemical Property Profile of NCI60_012627
Property Insights of NCI60_012627
The XLogP value of -1.2 indicates that NCI60_012627 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting NCI60_012627 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_012627 has 5 hydrogen bond donor(s) and 10 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_012627?
The CAS number of NCI60_012627 is 136445-69-7.
What is the molecular formula of NCI60_012627?
The molecular formula of NCI60_012627 is C17H24N8O6.
What is the molecular weight of NCI60_012627?
The molecular weight of NCI60_012627 is 436.18 g/mol.
Where can I buy NCI60_012627?
You can request a quote for NCI60_012627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_012627?
Yes, KEHONG BIO provides custom synthesis services for NCI60_012627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.