1,3-金刚烷二醇
TL;DR: 1,3-金刚烷二醇 (CAS 5001-18-3) is a chemical compound with molecular formula C19H33N3O3 and molecular weight 351.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-金刚烷二醇
1-hexyl-3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea
Also Known As: N-Hexyl-N'-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)urea, Urea, N-hexyl-N'-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, 1-hexyl-3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea, 1-hexyl-3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}urea, 1-hexyl-3-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)urea
| Molecular Formula | C19H33N3O3 |
|---|---|
| Molecular Weight | 351.25 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 351.2522 |
| Heavy Atoms | 25 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 5001-18-3 |
|---|---|
| SMILES | CCCCCCNC(=O)NC1=CC=C(C=C1)OCC(CNC(C)C)O |
| InChIKey | CFJMHEIWIQRQOI-UHFFFAOYSA-N |
Product Overview
1,3-金刚烷二醇 (CAS 5001-18-3), with molecular formula C19H33N3O3 and molecular weight 351.25 g/mol. IUPAC: 1-hexyl-3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea.
Chemical Property Profile of 1,3-金刚烷二醇
Property Insights of 1,3-金刚烷二醇
The XLogP value of 3.0 indicates that 1,3-金刚烷二醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-金刚烷二醇. Following Lipinski's Rule of Five, 1,3-金刚烷二醇 has 4 hydrogen bond donor(s) and 4 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 1,3-金刚烷二醇?
The CAS number of 1,3-金刚烷二醇 is 5001-18-3.
What is the molecular formula of 1,3-金刚烷二醇?
The molecular formula of 1,3-金刚烷二醇 is C19H33N3O3.
What is the molecular weight of 1,3-金刚烷二醇?
The molecular weight of 1,3-金刚烷二醇 is 351.25 g/mol.
Where can I buy 1,3-金刚烷二醇?
You can request a quote for 1,3-金刚烷二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-金刚烷二醇?
Yes, KEHONG BIO provides custom synthesis services for 1,3-金刚烷二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.