(1S,2S)-1-甲基环戊烷-1,2-二羧酸
TL;DR: (1S,2S)-1-甲基环戊烷-1,2-二羧酸 (CAS 91658-79-6) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S)-1-甲基环戊烷-1,2-二羧酸
trans-(1S,2S)-1-methylcyclopentane-1,2-dicarboxylic acid
Also Known As: KST-1A8887, (1s,2s)-1-methylcyclopentane-1,2-dicarboxylic acid, 1-methylcyclopentane-1,2-dicarboxylic acid, 1,2-Cyclopentanedicarboxylicacid, 1-methyl-, trans- (8CI)
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 91658-79-6 |
|---|---|
| SMILES | C[C@@]1(CCC[C@@H]1C(=O)O)C(=O)O |
| InChIKey | GSCSXBLPLCKKKI-XRGYYRRGSA-N |
Product Overview
(1S,2S)-1-甲基环戊烷-1,2-二羧酸 (CAS 91658-79-6), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: trans-(1S,2S)-1-methylcyclopentane-1,2-dicarboxylic acid.
Chemical Property Profile of (1S,2S)-1-甲基环戊烷-1,2-二羧酸
Property Insights of (1S,2S)-1-甲基环戊烷-1,2-二羧酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2S)-1-甲基环戊烷-1,2-二羧酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,2S)-1-甲基环戊烷-1,2-二羧酸. Following Lipinski's Rule of Five, (1S,2S)-1-甲基环戊烷-1,2-二羧酸 has 2 hydrogen bond donor(s) and 4 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 (1S,2S)-1-甲基环戊烷-1,2-二羧酸?
The CAS number of (1S,2S)-1-甲基环戊烷-1,2-二羧酸 is 91658-79-6.
What is the molecular formula of (1S,2S)-1-甲基环戊烷-1,2-二羧酸?
The molecular formula of (1S,2S)-1-甲基环戊烷-1,2-二羧酸 is C8H12O4.
What is the molecular weight of (1S,2S)-1-甲基环戊烷-1,2-二羧酸?
The molecular weight of (1S,2S)-1-甲基环戊烷-1,2-二羧酸 is 172.07 g/mol.
Where can I buy (1S,2S)-1-甲基环戊烷-1,2-二羧酸?
You can request a quote for (1S,2S)-1-甲基环戊烷-1,2-二羧酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2S)-1-甲基环戊烷-1,2-二羧酸?
Yes, KEHONG BIO provides custom synthesis services for (1S,2S)-1-甲基环戊烷-1,2-二羧酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.