AB00689142-01
TL;DR: AB00689142-01 (CAS 853902-03-1) is a chemical compound with molecular formula C12H12N2O5S2 and molecular weight 328.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8,8-dimethyl-5,10,12-trioxo-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-en-11-yl)acetic acid
Also Known As: AB00689142-01, F3109-0213, (8,8-dimethyl-2,5,7-trioxo-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl)acetic acid, (8,8-dimethyl-2,5,7-trioxo-1,4-dithia-3,6-diaza-2,3,4a,5,6,7,7a,8-octahydro-s-indacen-6-yl)acetic acid, 2-(2,2-dimethyl-4,6,11-trioxo-8,12-dithia-5,10-diazatricyclo[7.3.0.0<3,7>]dode c-1(9)-en-5-yl)acetic acid
| Molecular Formula | C12H12N2O5S2 |
|---|---|
| Molecular Weight | 328.02 g/mol |
| LogP | 0.2579 |
| Topological Polar Surface Area | 107.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.01877 |
| Heavy Atoms | 21 |
| Complexity | 719.47516 |
Chemical Identifiers
| CAS Number | 853902-03-1 |
|---|---|
| SMILES | CC1(C2C(C(=O)N(C2=O)CC(=O)O)SC3=C1SC(=O)N3)C |
Product Overview
AB00689142-01 (CAS 853902-03-1), with molecular formula C12H12N2O5S2 and molecular weight 328.02 g/mol. IUPAC: 2-(8,8-dimethyl-5,10,12-trioxo-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-en-11-yl)acetic acid.
Chemical Property Profile of AB00689142-01
Property Insights of AB00689142-01
The XLogP value of 0.2579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00689142-01. The TPSA of 107.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00689142-01. Following Lipinski's Rule of Five, AB00689142-01 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 AB00689142-01?
The CAS number of AB00689142-01 is 853902-03-1.
What is the molecular formula of AB00689142-01?
The molecular formula of AB00689142-01 is C12H12N2O5S2.
What is the molecular weight of AB00689142-01?
The molecular weight of AB00689142-01 is 328.02 g/mol.
Where can I buy AB00689142-01?
You can request a quote for AB00689142-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00689142-01?
Yes, KEHONG BIO provides custom synthesis services for AB00689142-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.