ChemDiv3_005351
TL;DR: ChemDiv3_005351 (CAS 499189-65-0) is a chemical compound with molecular formula C21H27N3 and molecular weight 321.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(12-tert-butyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)propanenitrile
Also Known As: ChemDiv3_005351, BAS 00107322, IDI1_023261, AH-262/36680040, BRD-A78481535-003-01-4
| Molecular Formula | C21H27N3 |
|---|---|
| Molecular Weight | 321.22 g/mol |
| LogP | 4.54548 |
| Topological Polar Surface Area | 31.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.2205 |
| Heavy Atoms | 24 |
| Complexity | 816.19214 |
Chemical Identifiers
| CAS Number | 499189-65-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CCC#N |
Product Overview
ChemDiv3_005351 (CAS 499189-65-0), with molecular formula C21H27N3 and molecular weight 321.22 g/mol. IUPAC: 3-(12-tert-butyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)propanenitrile.
Chemical Property Profile of ChemDiv3_005351
Property Insights of ChemDiv3_005351
The XLogP value of 4.54548 indicates that ChemDiv3_005351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.96 Ų, ChemDiv3_005351 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005351 has 0 hydrogen bond donor(s) and 2 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 ChemDiv3_005351?
The CAS number of ChemDiv3_005351 is 499189-65-0.
What is the molecular formula of ChemDiv3_005351?
The molecular formula of ChemDiv3_005351 is C21H27N3.
What is the molecular weight of ChemDiv3_005351?
The molecular weight of ChemDiv3_005351 is 321.22 g/mol.
Where can I buy ChemDiv3_005351?
You can request a quote for ChemDiv3_005351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005351?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.