AB00105377-01
TL;DR: AB00105377-01 (CAS 425659-40-1) is a chemical compound with molecular formula C21H17N3O2S2 and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide
Also Known As: AB00105377-01, N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide, N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}thiophene-2-carboxamide
| Molecular Formula | C21H17N3O2S2 |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 5.29994 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.07623 |
| Heavy Atoms | 28 |
| Complexity | 1140.8142 |
Chemical Identifiers
| CAS Number | 425659-40-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CS4 |
Product Overview
AB00105377-01 (CAS 425659-40-1), with molecular formula C21H17N3O2S2 and molecular weight 407.08 g/mol. IUPAC: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of AB00105377-01
Property Insights of AB00105377-01
The XLogP value of 5.29994 indicates that AB00105377-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105377-01. Following Lipinski's Rule of Five, AB00105377-01 has 2 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 AB00105377-01?
The CAS number of AB00105377-01 is 425659-40-1.
What is the molecular formula of AB00105377-01?
The molecular formula of AB00105377-01 is C21H17N3O2S2.
What is the molecular weight of AB00105377-01?
The molecular weight of AB00105377-01 is 407.08 g/mol.
Where can I buy AB00105377-01?
You can request a quote for AB00105377-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105377-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105377-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.