AB00109731-01
TL;DR: AB00109731-01 (CAS 383901-72-2) is a chemical compound with molecular formula C18H11ClN4O2S2 and molecular weight 414.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide
Also Known As: AB00109731-01, AN-465/40740781, N-{[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}thiophene-2-carboxamide, N-[[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide, 1-(2-CHLORO-5-{[1,3]OXAZOLO[4,5-B]PYRIDIN-2-YL}PHENYL)-3-(THIOPHENE-2-CARBONYL)THIOUREA
| Molecular Formula | C18H11ClN4O2S2 |
|---|---|
| Molecular Weight | 414.00 g/mol |
| LogP | 4.7315 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.0012 |
| Heavy Atoms | 27 |
| Complexity | 1108.4476 |
Chemical Identifiers
| CAS Number | 383901-72-2 |
|---|---|
| SMILES | C1=CC2=C(N=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CS4 |
Product Overview
AB00109731-01 (CAS 383901-72-2), with molecular formula C18H11ClN4O2S2 and molecular weight 414.00 g/mol. IUPAC: N-[[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of AB00109731-01
Property Insights of AB00109731-01
The XLogP value of 4.7315 indicates that AB00109731-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00109731-01. Following Lipinski's Rule of Five, AB00109731-01 has 2 hydrogen bond donor(s) and 6 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 AB00109731-01?
The CAS number of AB00109731-01 is 383901-72-2.
What is the molecular formula of AB00109731-01?
The molecular formula of AB00109731-01 is C18H11ClN4O2S2.
What is the molecular weight of AB00109731-01?
The molecular weight of AB00109731-01 is 414.00 g/mol.
Where can I buy AB00109731-01?
You can request a quote for AB00109731-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109731-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109731-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.