C14H14ClNO6
TL;DR: C14H14ClNO6 (CAS 64398-44-3) is a chemical compound with molecular formula C14H14ClNO6 and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-hydroxypropanoic acid
Also Known As: L-Serine, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, L-Serine, N-[(5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, N-[(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]serine, (2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-hydroxypropanoic acid, N-[(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]-L-serine
| Molecular Formula | C14H14ClNO6 |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.05096 |
| Heavy Atoms | 22 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 64398-44-3 |
|---|---|
| SMILES | CC1CC2=C(C=C(C=C2Cl)C(=O)N[C@@H](CO)C(=O)O)C(=O)O1 |
| InChIKey | KOFZPHPELVVKIR-NWFFHIACSA-N |
Product Overview
C14H14ClNO6 (CAS 64398-44-3), with molecular formula C14H14ClNO6 and molecular weight 327.05 g/mol. IUPAC: (2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-hydroxypropanoic acid.
Chemical Property Profile of C14H14ClNO6
Property Insights of C14H14ClNO6
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H14ClNO6. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H14ClNO6. Following Lipinski's Rule of Five, C14H14ClNO6 has 3 hydrogen bond donor(s) and 6 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 C14H14ClNO6?
The CAS number of C14H14ClNO6 is 64398-44-3.
What is the molecular formula of C14H14ClNO6?
The molecular formula of C14H14ClNO6 is C14H14ClNO6.
What is the molecular weight of C14H14ClNO6?
The molecular weight of C14H14ClNO6 is 327.05 g/mol.
Where can I buy C14H14ClNO6?
You can request a quote for C14H14ClNO6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H14ClNO6?
Yes, KEHONG BIO provides custom synthesis services for C14H14ClNO6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.