AN-988/40788206
TL;DR: AN-988/40788206 (CAS 501355-07-3) is a chemical compound with molecular formula C25H21N7O2S3 and molecular weight 547.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Also Known As: AN-988/40788206, N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide, N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide
| Molecular Formula | C25H21N7O2S3 |
|---|---|
| Molecular Weight | 547.09 g/mol |
| LogP | 4.4113 |
| Topological Polar Surface Area | 114.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 547.09186 |
| Heavy Atoms | 37 |
| Complexity | 1506.8234 |
Chemical Identifiers
| CAS Number | 501355-07-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NN=NN4C5=CC=CC=C5 |
Product Overview
AN-988/40788206 (CAS 501355-07-3), with molecular formula C25H21N7O2S3 and molecular weight 547.09 g/mol. IUPAC: N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
Chemical Property Profile of AN-988/40788206
Property Insights of AN-988/40788206
The XLogP value of 4.4113 indicates that AN-988/40788206 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40788206. Following Lipinski's Rule of Five, AN-988/40788206 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-988/40788206?
The CAS number of AN-988/40788206 is 501355-07-3.
What is the molecular formula of AN-988/40788206?
The molecular formula of AN-988/40788206 is C25H21N7O2S3.
What is the molecular weight of AN-988/40788206?
The molecular weight of AN-988/40788206 is 547.09 g/mol.
Where can I buy AN-988/40788206?
You can request a quote for AN-988/40788206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40788206?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40788206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.