ChemDiv2_001554
TL;DR: ChemDiv2_001554 (CAS 299962-65-5) is a chemical compound with molecular formula C19H22BrN3O2S and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-6-[2-(diethylamino)ethoxy]-8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10-pentaen-16-one
Also Known As: ChemDiv2_001554, BAS 00024547, 7-Bromo-6-[2-(diethylamino)ethoxy]-2,3-dihydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-one, [1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1h)-one, 7-bromo-6-[2-(diethylamino)ethoxy]-2,3-dihydro-, 5-bromo-6-[2-(diethylamino)ethoxy]-8-thia-10,15-diazatetracyclo[7.7.0.0(2),?.0(1)(1),(1)?]hexadeca-1(9),2(7),3,5,10-pentaen-16-one
| Molecular Formula | C19H22BrN3O2S |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.0616 |
| Heavy Atoms | 26 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 299962-65-5 |
|---|---|
| SMILES | CCN(CC)CCOC1=C(C=CC2=C1SC3=C2C(=O)N4CCCC4=N3)Br |
| InChIKey | HAWDMZQCZLHMNL-UHFFFAOYSA-N |
Product Overview
ChemDiv2_001554 (CAS 299962-65-5), with molecular formula C19H22BrN3O2S and molecular weight 435.06 g/mol. IUPAC: 5-bromo-6-[2-(diethylamino)ethoxy]-8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10-pentaen-16-one.
Chemical Property Profile of ChemDiv2_001554
Property Insights of ChemDiv2_001554
The XLogP value of 3.7 indicates that ChemDiv2_001554 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001554. Following Lipinski's Rule of Five, ChemDiv2_001554 has 0 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 ChemDiv2_001554?
The CAS number of ChemDiv2_001554 is 299962-65-5.
What is the molecular formula of ChemDiv2_001554?
The molecular formula of ChemDiv2_001554 is C19H22BrN3O2S.
What is the molecular weight of ChemDiv2_001554?
The molecular weight of ChemDiv2_001554 is 435.06 g/mol.
Where can I buy ChemDiv2_001554?
You can request a quote for ChemDiv2_001554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001554?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.