ChemDiv1_021501
TL;DR: ChemDiv1_021501 (CAS 5863-27-4) is a chemical compound with molecular formula C18H18N4O and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(3-hydroxypropylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: ChemDiv1_021501, BAS 00312830, AB00099639-01, 16-[(3-hydroxypropyl)amino]-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile, F1092-0102
| Molecular Formula | C18H18N4O |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 2.64218 |
| Topological Polar Surface Area | 73.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.14807 |
| Heavy Atoms | 23 |
| Complexity | 935.7256 |
Chemical Identifiers
| CAS Number | 5863-27-4 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NCCCO)C#N |
Product Overview
ChemDiv1_021501 (CAS 5863-27-4), with molecular formula C18H18N4O and molecular weight 306.15 g/mol. IUPAC: 16-(3-hydroxypropylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.
Chemical Property Profile of ChemDiv1_021501
Property Insights of ChemDiv1_021501
The XLogP value of 2.64218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021501. The TPSA of 73.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021501. Following Lipinski's Rule of Five, ChemDiv1_021501 has 2 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 ChemDiv1_021501?
The CAS number of ChemDiv1_021501 is 5863-27-4.
What is the molecular formula of ChemDiv1_021501?
The molecular formula of ChemDiv1_021501 is C18H18N4O.
What is the molecular weight of ChemDiv1_021501?
The molecular weight of ChemDiv1_021501 is 306.15 g/mol.
Where can I buy ChemDiv1_021501?
You can request a quote for ChemDiv1_021501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021501?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.