ChemDiv2_004575
TL;DR: ChemDiv2_004575 (CAS 672275-67-1) is a chemical compound with molecular formula C21H27N3O2 and molecular weight 353.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
Also Known As: ChemDiv2_004575, IDI1_003290, 9-[3-(diprop-2-en-1-ylamino)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one, 9-(3-(diallylamino)-2-hydroxypropyl)-2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one, 9-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
| Molecular Formula | C21H27N3O2 |
|---|---|
| Molecular Weight | 353.21 g/mol |
| LogP | 2.3043 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.21033 |
| Heavy Atoms | 26 |
| Complexity | 814.0157 |
Chemical Identifiers
| CAS Number | 672275-67-1 |
|---|---|
| SMILES | CN1CCC2=C(C1=O)N(C3=CC=CC=C23)CC(CN(CC=C)CC=C)O |
Product Overview
ChemDiv2_004575 (CAS 672275-67-1), with molecular formula C21H27N3O2 and molecular weight 353.21 g/mol. IUPAC: 9-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one.
Chemical Property Profile of ChemDiv2_004575
Property Insights of ChemDiv2_004575
The XLogP value of 2.3043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004575. With a topological polar surface area (TPSA) of 48.71 Ų, ChemDiv2_004575 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_004575 has 1 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 ChemDiv2_004575?
The CAS number of ChemDiv2_004575 is 672275-67-1.
What is the molecular formula of ChemDiv2_004575?
The molecular formula of ChemDiv2_004575 is C21H27N3O2.
What is the molecular weight of ChemDiv2_004575?
The molecular weight of ChemDiv2_004575 is 353.21 g/mol.
Where can I buy ChemDiv2_004575?
You can request a quote for ChemDiv2_004575 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004575?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004575 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.