NCI60_034249
TL;DR: NCI60_034249 (CAS 18719-03-4) is a chemical compound with molecular formula C37H48Cl2N4O4 and molecular weight 682.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]hexylamino]ethyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate
Also Known As: NCI60_034249, (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 2-((6-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)hexyl)amino)ethyl ester, 2-({6-[5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1h-indol-1-yl]hexyl}amino)ethyl(3-{4-[bis(2-chloroethyl)amino]phenyl}propyl)carbamate, 2-Pyridinemethanamine,N-((4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl)methyl)-, 1-6{N-[2-(N-((N,N-bis-2-chloroethylaminophenyl)propyl)-carbamoyloxy)ethyl]aminohexyl}-5-hydroxy-2-(4-hydroxyphenyl)-3-methyl indole
| Molecular Formula | C37H48Cl2N4O4 |
|---|---|
| Molecular Weight | 682.31 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 682.30524 |
| Heavy Atoms | 47 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 18719-03-4 |
|---|---|
| SMILES | CC1=C(N(C2=C1C=C(C=C2)O)CCCCCCNCCOC(=O)NCCCC3=CC=C(C=C3)N(CCCl)CCCl)C4=CC=C(C=C4)O |
| InChIKey | YVOFRAFRSOZULZ-UHFFFAOYSA-N |
Product Overview
NCI60_034249 (CAS 18719-03-4), with molecular formula C37H48Cl2N4O4 and molecular weight 682.31 g/mol. IUPAC: 2-[6-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]hexylamino]ethyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate.
Chemical Property Profile of NCI60_034249
Property Insights of NCI60_034249
The XLogP value of 7.6 indicates that NCI60_034249 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_034249. Following Lipinski's Rule of Five, NCI60_034249 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_034249?
The CAS number of NCI60_034249 is 18719-03-4.
What is the molecular formula of NCI60_034249?
The molecular formula of NCI60_034249 is C37H48Cl2N4O4.
What is the molecular weight of NCI60_034249?
The molecular weight of NCI60_034249 is 682.31 g/mol.
Where can I buy NCI60_034249?
You can request a quote for NCI60_034249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_034249?
Yes, KEHONG BIO provides custom synthesis services for NCI60_034249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.