NCI60_030099
TL;DR: NCI60_030099 (CAS 1798-93-2) is a chemical compound with molecular formula C22H33Cl2N3O5 and molecular weight 489.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate
Also Known As: NCI60_030099, NCI60_030100, 2-iso-Propyl-d7-5-methyl-d3-phenol-3,4,6-d3, diethyl 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate
| Molecular Formula | C22H33Cl2N3O5 |
|---|---|
| Molecular Weight | 489.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 489.17972 |
| Heavy Atoms | 32 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 1798-93-2 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N |
| InChIKey | LHZOIPJJFBYDEA-UHFFFAOYSA-N |
Product Overview
NCI60_030099 (CAS 1798-93-2), with molecular formula C22H33Cl2N3O5 and molecular weight 489.18 g/mol. IUPAC: diethyl 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate.
Chemical Property Profile of NCI60_030099
Property Insights of NCI60_030099
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_030099. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_030099. Following Lipinski's Rule of Five, NCI60_030099 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 NCI60_030099?
The CAS number of NCI60_030099 is 1798-93-2.
What is the molecular formula of NCI60_030099?
The molecular formula of NCI60_030099 is C22H33Cl2N3O5.
What is the molecular weight of NCI60_030099?
The molecular weight of NCI60_030099 is 489.18 g/mol.
Where can I buy NCI60_030099?
You can request a quote for NCI60_030099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_030099?
Yes, KEHONG BIO provides custom synthesis services for NCI60_030099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.