C18-H18-Cl-N3-O3.1/2H2-O
TL;DR: C18-H18-Cl-N3-O3.1/2H2-O (CAS 68709-58-0) is a chemical compound with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide
Also Known As: C18-H18-Cl-N3-O3.1/2H2-O, Glycinamide, DL-alanyl-N-(2-benzoyl-4-chlorophenyl)-, hemihydrate, Propanamide, 2-amino-N-(2-((2-benzoyl-4-chlorophenyl)amino)acetyl)-, DL-, hemihydrate, DL-2-Amino-N-(2-((2-benzoyl-4-chlorophenyl)amino)acetyl)propanamide hemihydrate, N-[(2-Benzoyl-4-chloroanilino)acetyl]-L-alaninamide
| Molecular Formula | C18H18ClN3O3 |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 1.9729 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.10367 |
| Heavy Atoms | 25 |
| Complexity | 791.4082 |
Chemical Identifiers
| CAS Number | 68709-58-0 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N |
Product Overview
C18-H18-Cl-N3-O3.1/2H2-O (CAS 68709-58-0), with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol. IUPAC: (2S)-2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide.
Chemical Property Profile of C18-H18-Cl-N3-O3.1/2H2-O
Property Insights of C18-H18-Cl-N3-O3.1/2H2-O
The XLogP value of 1.9729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18-H18-Cl-N3-O3.1/2H2-O. The TPSA of 101.29 Ų falls within the moderate polarity range, balancing permeability and solubility for C18-H18-Cl-N3-O3.1/2H2-O. Following Lipinski's Rule of Five, C18-H18-Cl-N3-O3.1/2H2-O has 3 hydrogen bond donor(s) and 5 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 C18-H18-Cl-N3-O3.1/2H2-O?
The CAS number of C18-H18-Cl-N3-O3.1/2H2-O is 68709-58-0.
What is the molecular formula of C18-H18-Cl-N3-O3.1/2H2-O?
The molecular formula of C18-H18-Cl-N3-O3.1/2H2-O is C18H18ClN3O3.
What is the molecular weight of C18-H18-Cl-N3-O3.1/2H2-O?
The molecular weight of C18-H18-Cl-N3-O3.1/2H2-O is 359.10 g/mol.
Where can I buy C18-H18-Cl-N3-O3.1/2H2-O?
You can request a quote for C18-H18-Cl-N3-O3.1/2H2-O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18-H18-Cl-N3-O3.1/2H2-O?
Yes, KEHONG BIO provides custom synthesis services for C18-H18-Cl-N3-O3.1/2H2-O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.