BRD-K34445835-001-08-6
TL;DR: BRD-K34445835-001-08-6 (CAS 577789-27-6) is a chemical compound with molecular formula C23H23N5O3 and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole
Also Known As: BRD-K34445835-001-08-6, BRD-K34445835-001-09-4, 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole, 7-methoxy-4-(4-piperonylpiperazino)-5H-pyrimid[5,4-b]indole, 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-7-methoxy-5H-pyrimido[5,4-b]indole
| Molecular Formula | C23H23N5O3 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.18008 |
| Heavy Atoms | 31 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 577789-27-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 |
| InChIKey | PJNRSCIWBIDJJA-UHFFFAOYSA-N |
Product Overview
BRD-K34445835-001-08-6 (CAS 577789-27-6), with molecular formula C23H23N5O3 and molecular weight 417.18 g/mol. IUPAC: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of BRD-K34445835-001-08-6
Property Insights of BRD-K34445835-001-08-6
The XLogP value of 3.3 indicates that BRD-K34445835-001-08-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K34445835-001-08-6. Following Lipinski's Rule of Five, BRD-K34445835-001-08-6 has 1 hydrogen bond donor(s) and 7 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 BRD-K34445835-001-08-6?
The CAS number of BRD-K34445835-001-08-6 is 577789-27-6.
What is the molecular formula of BRD-K34445835-001-08-6?
The molecular formula of BRD-K34445835-001-08-6 is C23H23N5O3.
What is the molecular weight of BRD-K34445835-001-08-6?
The molecular weight of BRD-K34445835-001-08-6 is 417.18 g/mol.
Where can I buy BRD-K34445835-001-08-6?
You can request a quote for BRD-K34445835-001-08-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K34445835-001-08-6?
Yes, KEHONG BIO provides custom synthesis services for BRD-K34445835-001-08-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.