Damascenine
TL;DR: Damascenine (CAS 5296-80-0) is a chemical compound with molecular formula C10H14ClNO3 and molecular weight 231.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-6-methoxycarbonylphenyl)-methylazanium chloride
Also Known As: Damascenine, Damascenine hydrochloride, 3-Methoxy-N-methylanthranilic acid methyl ester hydrochloride, Benzoic acid, 3-methoxy-2-(methylamino)-, methyl ester, hydrochloride, m-ANISIC ACID, 2-(METHYLAMINO)-, METHYL ESTER, HYDROCHLORIDE
| Molecular Formula | C10H14ClNO3 |
|---|---|
| Molecular Weight | 231.07 g/mol |
| LogP | -2.69 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.06622 |
| Heavy Atoms | 15 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 5296-80-0 |
|---|---|
| SMILES | C[NH2+]C1=C(C=CC=C1OC)C(=O)OC.[Cl-] |
| InChIKey | JIHJWSWOEPWMGM-UHFFFAOYSA-N |
Product Overview
Damascenine (CAS 5296-80-0), with molecular formula C10H14ClNO3 and molecular weight 231.07 g/mol. IUPAC: (2-methoxy-6-methoxycarbonylphenyl)-methylazanium chloride.
Chemical Property Profile of Damascenine
Property Insights of Damascenine
The XLogP value of -2.69 indicates that Damascenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.1 Ų, Damascenine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Damascenine has 1 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 Damascenine?
The CAS number of Damascenine is 5296-80-0.
What is the molecular formula of Damascenine?
The molecular formula of Damascenine is C10H14ClNO3.
What is the molecular weight of Damascenine?
The molecular weight of Damascenine is 231.07 g/mol.
Where can I buy Damascenine?
You can request a quote for Damascenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Damascenine?
Yes, KEHONG BIO provides custom synthesis services for Damascenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.