AB00106967-01
TL;DR: AB00106967-01 (CAS 364612-07-7) is a chemical compound with molecular formula C20H16N4O5S2 and molecular weight 456.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
Also Known As: AB00106967-01, N-(4-(3-(4-methoxy-3-nitrobenzoyl)thioureido)phenyl)thiophene-2-carboxamide, N-[4-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide, (4-methoxy-3-nitrophenyl)-N-({[4-(2-thienylcarbonylamino)phenyl]amino}thioxome thyl)carboxamide, N-[4-({[(4-methoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)phenyl]thiophene-2-carboxamide
| Molecular Formula | C20H16N4O5S2 |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 4.044 |
| Topological Polar Surface Area | 122.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.0562 |
| Heavy Atoms | 31 |
| Complexity | 1130.9818 |
Chemical Identifiers
| CAS Number | 364612-07-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-] |
Product Overview
AB00106967-01 (CAS 364612-07-7), with molecular formula C20H16N4O5S2 and molecular weight 456.06 g/mol. IUPAC: N-[4-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide.
Chemical Property Profile of AB00106967-01
Property Insights of AB00106967-01
The XLogP value of 4.044 indicates that AB00106967-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00106967-01. Following Lipinski's Rule of Five, AB00106967-01 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00106967-01?
The CAS number of AB00106967-01 is 364612-07-7.
What is the molecular formula of AB00106967-01?
The molecular formula of AB00106967-01 is C20H16N4O5S2.
What is the molecular weight of AB00106967-01?
The molecular weight of AB00106967-01 is 456.06 g/mol.
Where can I buy AB00106967-01?
You can request a quote for AB00106967-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106967-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106967-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.