BRN 5914075
TL;DR: BRN 5914075 (CAS 99009-26-4) is a chemical compound with molecular formula C23H27N5O4 and molecular weight 437.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[14-[3-(dimethylamino)propyl]-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-4-yl] 2,2-dimethylpropanoate
Also Known As: PD 117,802, PD 117802, Propanoic acid, 2,2-dimethyl-, 2-(3-(dimethylamino)propyl)-2,6-dihydro-5-nitropyrazolo(3,4,5-kl)acridin-9-yl ester, 14-[3-(dimethylamino)propyl]-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-4-yl 2,2-dimethylpropanoate, 2,2-Dimethylpropanoic acid [2-[3-(dimethylamino)propyl]-5-nitro-2,6-dihydropyrazolo[3,4,5-kl]acridin]-9-yl ester
| Molecular Formula | C23H27N5O4 |
|---|---|
| Molecular Weight | 437.21 g/mol |
| LogP | 4.5717 |
| Topological Polar Surface Area | 102.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.2063 |
| Heavy Atoms | 32 |
| Complexity | 1223.3303 |
Chemical Identifiers
| CAS Number | 99009-26-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC2=C(C=C1)NC3=C(C=CC4=C3C2=NN4CCCN(C)C)[N+](=O)[O-] |
Product Overview
BRN 5914075 (CAS 99009-26-4), with molecular formula C23H27N5O4 and molecular weight 437.21 g/mol. IUPAC: [14-[3-(dimethylamino)propyl]-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-4-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of BRN 5914075
Property Insights of BRN 5914075
The XLogP value of 4.5717 indicates that BRN 5914075 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 5914075. Following Lipinski's Rule of Five, BRN 5914075 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 BRN 5914075?
The CAS number of BRN 5914075 is 99009-26-4.
What is the molecular formula of BRN 5914075?
The molecular formula of BRN 5914075 is C23H27N5O4.
What is the molecular weight of BRN 5914075?
The molecular weight of BRN 5914075 is 437.21 g/mol.
Where can I buy BRN 5914075?
You can request a quote for BRN 5914075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 5914075?
Yes, KEHONG BIO provides custom synthesis services for BRN 5914075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.