AB00120068-01
TL;DR: AB00120068-01 (CAS 679824-82-9) is a chemical compound with molecular formula C16H13ClN2O5S and molecular weight 380.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-4-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: AB00120068-01, (2-chloro-4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, (Z)-2-(4-((1-allyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-chlorophenoxy)acetic acid, 2-[2-chloro-4-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
| Molecular Formula | C16H13ClN2O5S |
|---|---|
| Molecular Weight | 380.02 g/mol |
| LogP | 1.6161 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.02338 |
| Heavy Atoms | 25 |
| Complexity | 805.71484 |
Chemical Identifiers
| CAS Number | 679824-82-9 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC(=C(C=C2)OCC(=O)O)Cl)/C(=O)NC1=S |
Product Overview
AB00120068-01 (CAS 679824-82-9), with molecular formula C16H13ClN2O5S and molecular weight 380.02 g/mol. IUPAC: 2-[2-chloro-4-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of AB00120068-01
Property Insights of AB00120068-01
The XLogP value of 1.6161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00120068-01. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00120068-01. Following Lipinski's Rule of Five, AB00120068-01 has 2 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 AB00120068-01?
The CAS number of AB00120068-01 is 679824-82-9.
What is the molecular formula of AB00120068-01?
The molecular formula of AB00120068-01 is C16H13ClN2O5S.
What is the molecular weight of AB00120068-01?
The molecular weight of AB00120068-01 is 380.02 g/mol.
Where can I buy AB00120068-01?
You can request a quote for AB00120068-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00120068-01?
Yes, KEHONG BIO provides custom synthesis services for AB00120068-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.