BRD-K44412801-001-03-5
TL;DR: BRD-K44412801-001-03-5 (CAS 697240-99-6) is a chemical compound with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)acetamide
Also Known As: BRD-K44412801-001-03-5, A3638/0154393, N-(4-methoxyphenyl)-2-(5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)acetamide, N-(4-methoxyphenyl)-2-(5-oxo-2,3-dihydrothiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)acetamide
| Molecular Formula | C21H18N4O3S |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 3.1042 |
| Topological Polar Surface Area | 78.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.10995 |
| Heavy Atoms | 29 |
| Complexity | 1307.7483 |
Chemical Identifiers
| CAS Number | 697240-99-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C4=C2C(=O)N5CCSC5=N4 |
Product Overview
BRD-K44412801-001-03-5 (CAS 697240-99-6), with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol. IUPAC: N-(4-methoxyphenyl)-2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)acetamide.
Chemical Property Profile of BRD-K44412801-001-03-5
Property Insights of BRD-K44412801-001-03-5
The XLogP value of 3.1042 indicates that BRD-K44412801-001-03-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K44412801-001-03-5. Following Lipinski's Rule of Five, BRD-K44412801-001-03-5 has 1 hydrogen bond donor(s) and 5 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-K44412801-001-03-5?
The CAS number of BRD-K44412801-001-03-5 is 697240-99-6.
What is the molecular formula of BRD-K44412801-001-03-5?
The molecular formula of BRD-K44412801-001-03-5 is C21H18N4O3S.
What is the molecular weight of BRD-K44412801-001-03-5?
The molecular weight of BRD-K44412801-001-03-5 is 406.11 g/mol.
Where can I buy BRD-K44412801-001-03-5?
You can request a quote for BRD-K44412801-001-03-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K44412801-001-03-5?
Yes, KEHONG BIO provides custom synthesis services for BRD-K44412801-001-03-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.