薰衣草素B
TL;DR: 薰衣草素B (CAS 125697-91-8) is a chemical compound with molecular formula C21H19NO5 and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
薰衣草素B
5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
Also Known As: lavendustin b, lavendustin B?, 5-(bis(2-hydroxybenzyl)amino)-2-hydroxybenzoic acid, HSCI1_000118, 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
| Molecular Formula | C21H19NO5 |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.1263 |
| Heavy Atoms | 27 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 125697-91-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN(CC2=CC=CC=C2O)C3=CC(=C(C=C3)O)C(=O)O)O |
| InChIKey | RTYOLBQXFXYMKY-UHFFFAOYSA-N |
Product Overview
薰衣草素B (CAS 125697-91-8), with molecular formula C21H19NO5 and molecular weight 365.13 g/mol. IUPAC: 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid.
Chemical Property Profile of 薰衣草素B
Property Insights of 薰衣草素B
The XLogP value of 4.0 indicates that 薰衣草素B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 薰衣草素B. Following Lipinski's Rule of Five, 薰衣草素B has 4 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 薰衣草素B?
The CAS number of 薰衣草素B is 125697-91-8.
What is the molecular formula of 薰衣草素B?
The molecular formula of 薰衣草素B is C21H19NO5.
What is the molecular weight of 薰衣草素B?
The molecular weight of 薰衣草素B is 365.13 g/mol.
Where can I buy 薰衣草素B?
You can request a quote for 薰衣草素B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 薰衣草素B?
Yes, KEHONG BIO provides custom synthesis services for 薰衣草素B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.