ChemDiv1_028429
TL;DR: ChemDiv1_028429 (CAS 442870-50-0) is a chemical compound with molecular formula C20H29N3O and molecular weight 327.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-piperidin-1-ylethanone
Also Known As: ChemDiv1_028429, MixCom6_000621, A2578/0109989, 1-(1,2,3,4,4a,9b-Hexahydro-2,8-dimethyl-5H-pyrido[4,3-b]indol-5-yl)-2-(1-piperidinyl)ethanone, 1-{2,8-DIMETHYL-1H,2H,3H,4H,4AH,5H,9BH-PYRIDO[4,3-B]INDOL-5-YL}-2-(PIPERIDIN-1-YL)ETHAN-1-ONE
| Molecular Formula | C20H29N3O |
|---|---|
| Molecular Weight | 327.23 g/mol |
| LogP | 2.61522 |
| Topological Polar Surface Area | 26.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.23105 |
| Heavy Atoms | 24 |
| Complexity | 623.31 |
Chemical Identifiers
| CAS Number | 442870-50-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)CN4CCCCC4 |
Product Overview
ChemDiv1_028429 (CAS 442870-50-0), with molecular formula C20H29N3O and molecular weight 327.23 g/mol. IUPAC: 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-piperidin-1-ylethanone.
Chemical Property Profile of ChemDiv1_028429
Property Insights of ChemDiv1_028429
The XLogP value of 2.61522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_028429. With a topological polar surface area (TPSA) of 26.79 Ų, ChemDiv1_028429 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_028429 has 0 hydrogen bond donor(s) and 3 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_028429?
The CAS number of ChemDiv1_028429 is 442870-50-0.
What is the molecular formula of ChemDiv1_028429?
The molecular formula of ChemDiv1_028429 is C20H29N3O.
What is the molecular weight of ChemDiv1_028429?
The molecular weight of ChemDiv1_028429 is 327.23 g/mol.
Where can I buy ChemDiv1_028429?
You can request a quote for ChemDiv1_028429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028429?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.