AB00667965-01
TL;DR: AB00667965-01 (CAS 391874-63-8) is a chemical compound with molecular formula C20H14BrN3OS2 and molecular weight 454.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide
Also Known As: AB00667965-01, F0470-0268, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-naphthamide, N-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide
| Molecular Formula | C20H14BrN3OS2 |
|---|---|
| Molecular Weight | 454.98 g/mol |
| LogP | 5.9984 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.97617 |
| Heavy Atoms | 27 |
| Complexity | 1095.796 |
Chemical Identifiers
| CAS Number | 391874-63-8 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Br |
Product Overview
AB00667965-01 (CAS 391874-63-8), with molecular formula C20H14BrN3OS2 and molecular weight 454.98 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide.
Chemical Property Profile of AB00667965-01
Property Insights of AB00667965-01
The XLogP value of 5.9984 indicates that AB00667965-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00667965-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00667965-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00667965-01?
The CAS number of AB00667965-01 is 391874-63-8.
What is the molecular formula of AB00667965-01?
The molecular formula of AB00667965-01 is C20H14BrN3OS2.
What is the molecular weight of AB00667965-01?
The molecular weight of AB00667965-01 is 454.98 g/mol.
Where can I buy AB00667965-01?
You can request a quote for AB00667965-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667965-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667965-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.