AJ-797/37155035
TL;DR: AJ-797/37155035 (CAS 59997-47-6) is a chemical compound with molecular formula C20H25N3O4S2 and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[7-tert-butyl-2-(4-nitrophenyl)-1λ4,8-dithia-2,3-diazabicyclo[3.3.0]octa-1(5),3,6-trien-4-yl]pentanoate
Also Known As: AJ-797/37155035, methyl 5-[3-tert-butyl-8-(4-nitrophenyl)-1, methyl 5-[5-tert-butyl-1-(4-nitrophenyl)-1H-7lambda~4~-[1,2]dithiolo[5,1-e][1,2,3]thiadiazol-3-yl]pentanoate, Methyl 5-[7-tert-butyl-2-(4-nitrophenyl)-1lambda4,8-dithia-2,3-diazabicyclo[3.3.0]octa-1(5),3,6-trien-4-yl]pentanoate
| Molecular Formula | C20H25N3O4S2 |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 5.4523 |
| Topological Polar Surface Area | 85.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.12866 |
| Heavy Atoms | 29 |
| Complexity | 914.6492 |
Chemical Identifiers
| CAS Number | 59997-47-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=S(S1)N(N=C2CCCCC(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AJ-797/37155035 (CAS 59997-47-6), with molecular formula C20H25N3O4S2 and molecular weight 435.13 g/mol. IUPAC: methyl 5-[7-tert-butyl-2-(4-nitrophenyl)-1λ4,8-dithia-2,3-diazabicyclo[3.3.0]octa-1(5),3,6-trien-4-yl]pentanoate.
Chemical Property Profile of AJ-797/37155035
Property Insights of AJ-797/37155035
The XLogP value of 5.4523 indicates that AJ-797/37155035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-797/37155035. Following Lipinski's Rule of Five, AJ-797/37155035 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-797/37155035?
The CAS number of AJ-797/37155035 is 59997-47-6.
What is the molecular formula of AJ-797/37155035?
The molecular formula of AJ-797/37155035 is C20H25N3O4S2.
What is the molecular weight of AJ-797/37155035?
The molecular weight of AJ-797/37155035 is 435.13 g/mol.
Where can I buy AJ-797/37155035?
You can request a quote for AJ-797/37155035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-797/37155035?
Yes, KEHONG BIO provides custom synthesis services for AJ-797/37155035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.