N,N-Dimethyl-4-amino-3-chloroangelicin
TL;DR: N,N-Dimethyl-4-amino-3-chloroangelicin (CAS 86799-45-3) is a chemical compound with molecular formula C13H10ClNO3 and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(dimethylamino)furo[2,3-h]chromen-2-one
Also Known As: Dma CA, N,N-Dimethyl-4-amino-3-chloroangelicin, 3-chloro-4-(dimethylamino)furo[2,3-h]chromen-2-one, 2H-Furo(2,3-h)-1-benzopyran-2-one, 3-chloro-4-(dimethylamino)-, 3-Chloro-4-(dimethylamino)-2H-furo[2,3-h][1]benzopyran-2-one
| Molecular Formula | C13H10ClNO3 |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.0349 |
| Heavy Atoms | 18 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 86799-45-3 |
|---|---|
| SMILES | CN(C)C1=C(C(=O)OC2=C1C=CC3=C2C=CO3)Cl |
| InChIKey | RBTPBEOWYJTVTO-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyl-4-amino-3-chloroangelicin (CAS 86799-45-3), with molecular formula C13H10ClNO3 and molecular weight 263.03 g/mol. IUPAC: 3-chloro-4-(dimethylamino)furo[2,3-h]chromen-2-one.
Chemical Property Profile of N,N-Dimethyl-4-amino-3-chloroangelicin
Property Insights of N,N-Dimethyl-4-amino-3-chloroangelicin
The XLogP value of 3.0 indicates that N,N-Dimethyl-4-amino-3-chloroangelicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, N,N-Dimethyl-4-amino-3-chloroangelicin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl-4-amino-3-chloroangelicin has 0 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 N,N-Dimethyl-4-amino-3-chloroangelicin?
The CAS number of N,N-Dimethyl-4-amino-3-chloroangelicin is 86799-45-3.
What is the molecular formula of N,N-Dimethyl-4-amino-3-chloroangelicin?
The molecular formula of N,N-Dimethyl-4-amino-3-chloroangelicin is C13H10ClNO3.
What is the molecular weight of N,N-Dimethyl-4-amino-3-chloroangelicin?
The molecular weight of N,N-Dimethyl-4-amino-3-chloroangelicin is 263.03 g/mol.
Where can I buy N,N-Dimethyl-4-amino-3-chloroangelicin?
You can request a quote for N,N-Dimethyl-4-amino-3-chloroangelicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-4-amino-3-chloroangelicin?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-4-amino-3-chloroangelicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.