7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)-
TL;DR: 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)- (CAS 109282-39-5) is a chemical compound with molecular formula C8H10O4S and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3S,4R)-7-thiabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Also Known As: (exo,exo)-7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)-, RefChem:1074550
| Molecular Formula | C8H10O4S |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 0.6658 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.02998 |
| Heavy Atoms | 13 |
| Complexity | 238.86964 |
Chemical Identifiers
| CAS Number | 109282-39-5 |
|---|---|
| SMILES | C1C[C@H]2[C@H]([C@H]([C@@H]1S2)C(=O)O)C(=O)O |
Product Overview
7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)- (CAS 109282-39-5), with molecular formula C8H10O4S and molecular weight 202.03 g/mol. IUPAC: (1S,2R,3S,4R)-7-thiabicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
Chemical Property Profile of 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)-
Property Insights of 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)-
The XLogP value of 0.6658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)-. Following Lipinski's Rule of Five, 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)- has 2 hydrogen bond donor(s) and 3 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 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)-?
The CAS number of 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)- is 109282-39-5.
What is the molecular formula of 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)-?
The molecular formula of 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)- is C8H10O4S.
What is the molecular weight of 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)-?
The molecular weight of 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)- is 202.03 g/mol.
Where can I buy 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)-?
You can request a quote for 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)-?
Yes, KEHONG BIO provides custom synthesis services for 7-Thiabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (exo,exo)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.