alpha-Chlorohydrin mono-4-acetamidobenzoate
TL;DR: alpha-Chlorohydrin mono-4-acetamidobenzoate (CAS 75645-15-7) is a chemical compound with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-hydroxypropyl) 4-acetamidobenzoate
Also Known As: alpha-chlorohydrin-MAB, Cid 53292, (3-chloro-2-hydroxypropyl) 4-acetamidobenzoate, alpha-Chlorohydrin mono-4-acetamidobenzoate, Alpha chlorohydrin-para-acetamidobenzoate
| Molecular Formula | C12H14ClNO4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.06113 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 75645-15-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)OCC(CCl)O |
| InChIKey | XOEKQGPIEBPNEV-UHFFFAOYSA-N |
Product Overview
alpha-Chlorohydrin mono-4-acetamidobenzoate (CAS 75645-15-7), with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol. IUPAC: (3-chloro-2-hydroxypropyl) 4-acetamidobenzoate.
Chemical Property Profile of alpha-Chlorohydrin mono-4-acetamidobenzoate
Property Insights of alpha-Chlorohydrin mono-4-acetamidobenzoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Chlorohydrin mono-4-acetamidobenzoate. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Chlorohydrin mono-4-acetamidobenzoate. Following Lipinski's Rule of Five, alpha-Chlorohydrin mono-4-acetamidobenzoate 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 alpha-Chlorohydrin mono-4-acetamidobenzoate?
The CAS number of alpha-Chlorohydrin mono-4-acetamidobenzoate is 75645-15-7.
What is the molecular formula of alpha-Chlorohydrin mono-4-acetamidobenzoate?
The molecular formula of alpha-Chlorohydrin mono-4-acetamidobenzoate is C12H14ClNO4.
What is the molecular weight of alpha-Chlorohydrin mono-4-acetamidobenzoate?
The molecular weight of alpha-Chlorohydrin mono-4-acetamidobenzoate is 271.06 g/mol.
Where can I buy alpha-Chlorohydrin mono-4-acetamidobenzoate?
You can request a quote for alpha-Chlorohydrin mono-4-acetamidobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Chlorohydrin mono-4-acetamidobenzoate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Chlorohydrin mono-4-acetamidobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.