AB00112514-01
TL;DR: AB00112514-01 (CAS 430445-80-0) is a chemical compound with molecular formula C23H16BrN3O3S and molecular weight 493.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]phenyl]furan-2-carboxamide
Also Known As: AB00112514-01, N-[4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]phenyl]furan-2-carboxamide, N-[4-({[(5-bromo-1-naphthoyl)amino]carbothioyl}amino)phenyl]-2-furamide, (5-bromonaphthyl)-N-({[4-(2-furylcarbonylamino)phenyl]amino}thioxomethyl)carbo xamide, N-[4-({[(5-bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)phenyl]furan-2-carboxamide
| Molecular Formula | C23H16BrN3O3S |
|---|---|
| Molecular Weight | 493.01 g/mol |
| LogP | 5.5744 |
| Topological Polar Surface Area | 83.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.00958 |
| Heavy Atoms | 31 |
| Complexity | 1271.2311 |
Chemical Identifiers
| CAS Number | 430445-80-0 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4 |
Product Overview
AB00112514-01 (CAS 430445-80-0), with molecular formula C23H16BrN3O3S and molecular weight 493.01 g/mol. IUPAC: N-[4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]phenyl]furan-2-carboxamide.
Chemical Property Profile of AB00112514-01
Property Insights of AB00112514-01
The XLogP value of 5.5744 indicates that AB00112514-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112514-01. Following Lipinski's Rule of Five, AB00112514-01 has 3 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 AB00112514-01?
The CAS number of AB00112514-01 is 430445-80-0.
What is the molecular formula of AB00112514-01?
The molecular formula of AB00112514-01 is C23H16BrN3O3S.
What is the molecular weight of AB00112514-01?
The molecular weight of AB00112514-01 is 493.01 g/mol.
Where can I buy AB00112514-01?
You can request a quote for AB00112514-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112514-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112514-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.