NCI60_002530
TL;DR: NCI60_002530 (CAS 70889-19-9) is a chemical compound with molecular formula C24H27N3O4 and molecular weight 421.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamate
Also Known As: NCI60_002530, [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl, [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamate, 1H-Pyrrole-3, 2-[1,1'-biphenyl]-4-yl-1,5-dimethyl-, bis(methylcarbamate) (ester), [2-([1,1'-Biphenyl]-4-yl)-1,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)
| Molecular Formula | C24H27N3O4 |
|---|---|
| Molecular Weight | 421.20 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.20016 |
| Heavy Atoms | 31 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 70889-19-9 |
|---|---|
| SMILES | CC1=C(C(=C(N1C)C2=CC=C(C=C2)C3=CC=CC=C3)COC(=O)NC)COC(=O)NC |
| InChIKey | ZSOIFICKFJJSNP-UHFFFAOYSA-N |
Product Overview
NCI60_002530 (CAS 70889-19-9), with molecular formula C24H27N3O4 and molecular weight 421.20 g/mol. IUPAC: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamate.
Chemical Property Profile of NCI60_002530
Property Insights of NCI60_002530
The XLogP value of 3.4 indicates that NCI60_002530 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_002530. Following Lipinski's Rule of Five, NCI60_002530 has 2 hydrogen bond donor(s) and 4 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_002530?
The CAS number of NCI60_002530 is 70889-19-9.
What is the molecular formula of NCI60_002530?
The molecular formula of NCI60_002530 is C24H27N3O4.
What is the molecular weight of NCI60_002530?
The molecular weight of NCI60_002530 is 421.20 g/mol.
Where can I buy NCI60_002530?
You can request a quote for NCI60_002530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002530?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.