苯甲酸银
TL;DR: 苯甲酸银 (CAS 532-31-0) is a chemical compound with molecular formula C40H74N2O2S2 and molecular weight 678.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸银
8-(3-octylthiiran-2-yl)-1-[3-[8-(3-octylthiiran-2-yl)octanoyl]-1,3-diazinan-1-yl]octan-1-one
Also Known As: KST-1B4909, 1,1'-dihydropyrimidine-1,3(2h,4h)-diylbis[8-(3-octylthiiran-2-yl)octan-1-one], 1,1'-(1,3-Diazinane-1,3-diyl)bis[8-(3-octylthiiran-2-yl)octan-1-one], 8-(3-octylthiiran-2-yl)-1-[3-[8-(3-octylthiiran-2-yl)octanoyl]-1,3-diazinan-1-yl]octan-1-one
| Molecular Formula | C40H74N2O2S2 |
|---|---|
| Molecular Weight | 678.52 g/mol |
| LogP | 13.7 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 30 |
| Exact Mass | 678.51917 |
| Heavy Atoms | 46 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 532-31-0 |
|---|---|
| SMILES | CCCCCCCCC1C(S1)CCCCCCCC(=O)N2CCCN(C2)C(=O)CCCCCCCC3C(S3)CCCCCCCC |
| InChIKey | QRGLIZFNUZGDOY-UHFFFAOYSA-N |
Product Overview
苯甲酸银 (CAS 532-31-0), with molecular formula C40H74N2O2S2 and molecular weight 678.52 g/mol. IUPAC: 8-(3-octylthiiran-2-yl)-1-[3-[8-(3-octylthiiran-2-yl)octanoyl]-1,3-diazinan-1-yl]octan-1-one.
Chemical Property Profile of 苯甲酸银
Property Insights of 苯甲酸银
The XLogP value of 13.7 indicates that 苯甲酸银 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯甲酸银. Following Lipinski's Rule of Five, 苯甲酸银 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苯甲酸银?
The CAS number of 苯甲酸银 is 532-31-0.
What is the molecular formula of 苯甲酸银?
The molecular formula of 苯甲酸银 is C40H74N2O2S2.
What is the molecular weight of 苯甲酸银?
The molecular weight of 苯甲酸银 is 678.52 g/mol.
Where can I buy 苯甲酸银?
You can request a quote for 苯甲酸银 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸银?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸银 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.