NCI60_029441
TL;DR: NCI60_029441 (CAS 108675-63-4) is a chemical compound with molecular formula C28H40IN3O6 and molecular weight 641.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
Also Known As: NCI60_029441, 6-[(4-hydroxy-3-iodo-phenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone, 6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
| Molecular Formula | C28H40IN3O6 |
|---|---|
| Molecular Weight | 641.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 641.19617 |
| Heavy Atoms | 38 |
| Complexity | 896.0 |
Chemical Identifiers
| CAS Number | 108675-63-4 |
|---|---|
| SMILES | CC1CC(OC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)O)I)C)C |
| InChIKey | QMYRWKWZINECMT-UHFFFAOYSA-N |
Product Overview
NCI60_029441 (CAS 108675-63-4), with molecular formula C28H40IN3O6 and molecular weight 641.20 g/mol. IUPAC: 6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone.
Chemical Property Profile of NCI60_029441
Property Insights of NCI60_029441
The XLogP value of 4.1 indicates that NCI60_029441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_029441. Following Lipinski's Rule of Five, NCI60_029441 has 3 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_029441?
The CAS number of NCI60_029441 is 108675-63-4.
What is the molecular formula of NCI60_029441?
The molecular formula of NCI60_029441 is C28H40IN3O6.
What is the molecular weight of NCI60_029441?
The molecular weight of NCI60_029441 is 641.20 g/mol.
Where can I buy NCI60_029441?
You can request a quote for NCI60_029441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_029441?
Yes, KEHONG BIO provides custom synthesis services for NCI60_029441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.