ChemDiv2_003739
TL;DR: ChemDiv2_003739 (CAS 329070-85-1) is a chemical compound with molecular formula C18H21N3 and molecular weight 279.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)propanenitrile
Also Known As: ChemDiv2_003739, BAS 00386716, IDI1_002454, 3-(8-Methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)propanenitrile, AH-262/34339021
| Molecular Formula | C18H21N3 |
|---|---|
| Molecular Weight | 279.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.17355 |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 329070-85-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CCC#N |
| InChIKey | HWJBOELNKXRKJA-UHFFFAOYSA-N |
Product Overview
ChemDiv2_003739 (CAS 329070-85-1), with molecular formula C18H21N3 and molecular weight 279.17 g/mol. IUPAC: 3-(12-methyl-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 ChemDiv2_003739
Property Insights of ChemDiv2_003739
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_003739. With a topological polar surface area (TPSA) of 32.0 Ų, ChemDiv2_003739 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_003739 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 ChemDiv2_003739?
The CAS number of ChemDiv2_003739 is 329070-85-1.
What is the molecular formula of ChemDiv2_003739?
The molecular formula of ChemDiv2_003739 is C18H21N3.
What is the molecular weight of ChemDiv2_003739?
The molecular weight of ChemDiv2_003739 is 279.17 g/mol.
Where can I buy ChemDiv2_003739?
You can request a quote for ChemDiv2_003739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003739?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.