4,4'-Hexamethylenebis(1-phenylsemicarbazide)
TL;DR: 4,4'-Hexamethylenebis(1-phenylsemicarbazide) (CAS 102600-73-7) is a chemical compound with molecular formula C20H28N6O2 and molecular weight 384.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anilino-3-[6-(anilinocarbamoylamino)hexyl]urea
Also Known As: 4,4'-Hexamethylenebis(1-phenylsemicarbazide), 1-anilino-3-[6-(anilinocarbamoylamino)hexyl]urea, 2-phenyl-N-(6-{[(2-phenylhydrazino)carbonyl]amino}hexyl)hydrazinecarboxamide, 667-444-0, RefChem:506699
| Molecular Formula | C20H28N6O2 |
|---|---|
| Molecular Weight | 384.23 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 384.2274 |
| Heavy Atoms | 28 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 102600-73-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NNC(=O)NCCCCCCNC(=O)NNC2=CC=CC=C2 |
| InChIKey | OXEYVEYRYXUXMZ-UHFFFAOYSA-N |
Product Overview
4,4'-Hexamethylenebis(1-phenylsemicarbazide) (CAS 102600-73-7), with molecular formula C20H28N6O2 and molecular weight 384.23 g/mol. IUPAC: 1-anilino-3-[6-(anilinocarbamoylamino)hexyl]urea.
Chemical Property Profile of 4,4'-Hexamethylenebis(1-phenylsemicarbazide)
Property Insights of 4,4'-Hexamethylenebis(1-phenylsemicarbazide)
The XLogP value of 3.7 indicates that 4,4'-Hexamethylenebis(1-phenylsemicarbazide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Hexamethylenebis(1-phenylsemicarbazide). Following Lipinski's Rule of Five, 4,4'-Hexamethylenebis(1-phenylsemicarbazide) has 6 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 4,4'-Hexamethylenebis(1-phenylsemicarbazide)?
The CAS number of 4,4'-Hexamethylenebis(1-phenylsemicarbazide) is 102600-73-7.
What is the molecular formula of 4,4'-Hexamethylenebis(1-phenylsemicarbazide)?
The molecular formula of 4,4'-Hexamethylenebis(1-phenylsemicarbazide) is C20H28N6O2.
What is the molecular weight of 4,4'-Hexamethylenebis(1-phenylsemicarbazide)?
The molecular weight of 4,4'-Hexamethylenebis(1-phenylsemicarbazide) is 384.23 g/mol.
Where can I buy 4,4'-Hexamethylenebis(1-phenylsemicarbazide)?
You can request a quote for 4,4'-Hexamethylenebis(1-phenylsemicarbazide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Hexamethylenebis(1-phenylsemicarbazide)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Hexamethylenebis(1-phenylsemicarbazide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.