PETCM
TL;DR: PETCM (CAS 10129-56-3) is a chemical compound with molecular formula C8H8Cl3NO and molecular weight 238.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol
Also Known As: PETCM, 9-(N-Methylformamido)julolidine, KST-1A0341, (2s)-1,1,1-trichloro-3-(pyridin-4-yl)propan-2-ol, (2S)-1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol
| Molecular Formula | C8H8Cl3NO |
|---|---|
| Molecular Weight | 238.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.96715 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 10129-56-3 |
|---|---|
| SMILES | C1=CN=CC=C1C[C@@H](C(Cl)(Cl)Cl)O |
| InChIKey | NGTDJJKTGRNNAU-ZETCQYMHSA-N |
Product Overview
PETCM (CAS 10129-56-3), with molecular formula C8H8Cl3NO and molecular weight 238.97 g/mol. IUPAC: (2S)-1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol.
Chemical Property Profile of PETCM
Property Insights of PETCM
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PETCM. With a topological polar surface area (TPSA) of 33.1 Ų, PETCM exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PETCM has 1 hydrogen bond donor(s) and 2 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 PETCM?
The CAS number of PETCM is 10129-56-3.
What is the molecular formula of PETCM?
The molecular formula of PETCM is C8H8Cl3NO.
What is the molecular weight of PETCM?
The molecular weight of PETCM is 238.97 g/mol.
Where can I buy PETCM?
You can request a quote for PETCM directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PETCM?
Yes, KEHONG BIO provides custom synthesis services for PETCM and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.