AB00074889-01
TL;DR: AB00074889-01 (CAS 313494-82-5) is a chemical compound with molecular formula C16H13Cl2N3O4S and molecular weight 413.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[[3-chloro-4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]carbamothioyl]carbamate
Also Known As: AB00074889-01, methyl [(3-chloro-4-{[(5-chloro-2-hydroxyphenyl)carbonyl]amino}phenyl)carbamothioyl]carbamate, methyl N-[[3-chloro-4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]carbamothioyl]carbamate, methyl N-({3-chloro-4-[(5-chloro-2-hydroxybenzene)amido]phenyl}carbamothioyl)carbamate
| Molecular Formula | C16H13Cl2N3O4S |
|---|---|
| Molecular Weight | 413.00 g/mol |
| LogP | 4.0041 |
| Topological Polar Surface Area | 99.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.0004 |
| Heavy Atoms | 26 |
| Complexity | 876.56854 |
Chemical Identifiers
| CAS Number | 313494-82-5 |
|---|---|
| SMILES | COC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)O)Cl |
Product Overview
AB00074889-01 (CAS 313494-82-5), with molecular formula C16H13Cl2N3O4S and molecular weight 413.00 g/mol. IUPAC: methyl N-[[3-chloro-4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]carbamothioyl]carbamate.
Chemical Property Profile of AB00074889-01
Property Insights of AB00074889-01
The XLogP value of 4.0041 indicates that AB00074889-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00074889-01. Following Lipinski's Rule of Five, AB00074889-01 has 4 hydrogen bond donor(s) and 5 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 AB00074889-01?
The CAS number of AB00074889-01 is 313494-82-5.
What is the molecular formula of AB00074889-01?
The molecular formula of AB00074889-01 is C16H13Cl2N3O4S.
What is the molecular weight of AB00074889-01?
The molecular weight of AB00074889-01 is 413.00 g/mol.
Where can I buy AB00074889-01?
You can request a quote for AB00074889-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00074889-01?
Yes, KEHONG BIO provides custom synthesis services for AB00074889-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.