黑种草碱
TL;DR: 黑种草碱 (CAS 483-64-7) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黑种草碱
methyl 3-methoxy-2-(methylamino)benzoate
Also Known As: Damascenine, Nigelline, methyl 3-methoxy-2-(methylamino)benzoate, Damascenin, METHYLDAMASCENINE
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 483-64-7 |
|---|---|
| SMILES | CNC1=C(C=CC=C1OC)C(=O)OC |
| InChIKey | ZRWJIZYZTLTXJI-UHFFFAOYSA-N |
Product Overview
黑种草碱 (CAS 483-64-7), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: methyl 3-methoxy-2-(methylamino)benzoate.
Chemical Property Profile of 黑种草碱
Property Insights of 黑种草碱
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 黑种草碱. With a topological polar surface area (TPSA) of 47.6 Ų, 黑种草碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 黑种草碱 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 黑种草碱?
The CAS number of 黑种草碱 is 483-64-7.
What is the molecular formula of 黑种草碱?
The molecular formula of 黑种草碱 is C10H13NO3.
What is the molecular weight of 黑种草碱?
The molecular weight of 黑种草碱 is 195.09 g/mol.
Where can I buy 黑种草碱?
You can request a quote for 黑种草碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黑种草碱?
Yes, KEHONG BIO provides custom synthesis services for 黑种草碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.