ZERO/006110
TL;DR: ZERO/006110 (CAS 1005261-77-7) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5'-nitro-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-1-carboxylate
Also Known As: ZERO/006110, methyl 5-nitro-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-1'-carboxylate, Methyl 5-nitro-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-1'-carboxylate, methyl 5'-nitro-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-1-carboxylate, methyl 5-nitro-2-oxospiro[indoline-3,3'-perhydropyrrolizine]-10-carboxylate
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 1.3995 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 764.07983 |
Chemical Identifiers
| CAS Number | 1005261-77-7 |
|---|---|
| SMILES | COC(=O)C1CC2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)N4C1CCC4 |
Product Overview
ZERO/006110 (CAS 1005261-77-7), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: methyl 5'-nitro-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-1-carboxylate.
Chemical Property Profile of ZERO/006110
Property Insights of ZERO/006110
The XLogP value of 1.3995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/006110. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/006110. Following Lipinski's Rule of Five, ZERO/006110 has 1 hydrogen bond donor(s) and 6 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 ZERO/006110?
The CAS number of ZERO/006110 is 1005261-77-7.
What is the molecular formula of ZERO/006110?
The molecular formula of ZERO/006110 is C16H17N3O5.
What is the molecular weight of ZERO/006110?
The molecular weight of ZERO/006110 is 331.12 g/mol.
Where can I buy ZERO/006110?
You can request a quote for ZERO/006110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/006110?
Yes, KEHONG BIO provides custom synthesis services for ZERO/006110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.