AB00093411-01
TL;DR: AB00093411-01 (CAS 327170-56-9) is a chemical compound with molecular formula C18H16N2O3S2 and molecular weight 372.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(11-benzyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetic acid
Also Known As: AB00093411-01, AJ-292/11387441, [(3-benzyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid, 2-((3-benzyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
| Molecular Formula | C18H16N2O3S2 |
|---|---|
| Molecular Weight | 372.06 g/mol |
| LogP | 3.1717 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.06024 |
| Heavy Atoms | 25 |
| Complexity | 1008.57336 |
Chemical Identifiers
| CAS Number | 327170-56-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)CC4=CC=CC=C4 |
Product Overview
AB00093411-01 (CAS 327170-56-9), with molecular formula C18H16N2O3S2 and molecular weight 372.06 g/mol. IUPAC: 2-[(11-benzyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetic acid.
Chemical Property Profile of AB00093411-01
Property Insights of AB00093411-01
The XLogP value of 3.1717 indicates that AB00093411-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00093411-01. Following Lipinski's Rule of Five, AB00093411-01 has 1 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 AB00093411-01?
The CAS number of AB00093411-01 is 327170-56-9.
What is the molecular formula of AB00093411-01?
The molecular formula of AB00093411-01 is C18H16N2O3S2.
What is the molecular weight of AB00093411-01?
The molecular weight of AB00093411-01 is 372.06 g/mol.
Where can I buy AB00093411-01?
You can request a quote for AB00093411-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093411-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093411-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.