N-iodoacetyl-N'-biotinylhexylenediamine
TL;DR: N-iodoacetyl-N'-biotinylhexylenediamine (CAS 28449-20-9) is a chemical compound with molecular formula C18H31IN4O3S and molecular weight 510.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[6-[(2-iodoacetyl)amino]hexyl]pentanamide
Also Known As: Iodoacetyl-LC-Biotin, Iaa-biotin, iodoacetyl-LC biotin, N-Biotinyl-N'-(iodoacetyl)-1,6-hexanediamine, N-Iodoacetyl-N-biotinylhexylenediamine
| Molecular Formula | C18H31IN4O3S |
|---|---|
| Molecular Weight | 510.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 510.11615 |
| Heavy Atoms | 27 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 28449-20-9 |
|---|---|
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCNC(=O)CI)NC(=O)N2 |
| InChIKey | DNXDWMHPTVQBIP-ZQIUZPCESA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-iodoacetyl-N'-biotinylhexylenediamine (CAS 28449-20-9), with molecular formula C18H31IN4O3S and molecular weight 510.12 g/mol. IUPAC: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[6-[(2-iodoacetyl)amino]hexyl]pentanamide.
Chemical Property Profile of N-iodoacetyl-N'-biotinylhexylenediamine
Property Insights of N-iodoacetyl-N'-biotinylhexylenediamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-iodoacetyl-N'-biotinylhexylenediamine. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-iodoacetyl-N'-biotinylhexylenediamine. Following Lipinski's Rule of Five, N-iodoacetyl-N'-biotinylhexylenediamine has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-iodoacetyl-N'-biotinylhexylenediamine?
The CAS number of N-iodoacetyl-N'-biotinylhexylenediamine is 28449-20-9.
What is the molecular formula of N-iodoacetyl-N'-biotinylhexylenediamine?
The molecular formula of N-iodoacetyl-N'-biotinylhexylenediamine is C18H31IN4O3S.
What is the molecular weight of N-iodoacetyl-N'-biotinylhexylenediamine?
The molecular weight of N-iodoacetyl-N'-biotinylhexylenediamine is 510.12 g/mol.
Where can I buy N-iodoacetyl-N'-biotinylhexylenediamine?
You can request a quote for N-iodoacetyl-N'-biotinylhexylenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-iodoacetyl-N'-biotinylhexylenediamine?
Yes, KEHONG BIO provides custom synthesis services for N-iodoacetyl-N'-biotinylhexylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.