BioA-IN-13
TL;DR: BioA-IN-13 (CAS 1164475-61-9) is a chemical compound with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(1,3-benzothiazol-2-yl)-5-(4-methyl-3-nitrophenyl)pent-4-enoic acid
Also Known As: BioA-IN-13, BioA-IN-13; BTPA-13, BioA-IN-13 (BTPA-13), 4-(Benzothiazol-2-yl)pentenoic acid 13, AB00562379-02
| Molecular Formula | C19H16N2O4S |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 4.91832 |
| Topological Polar Surface Area | 93.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.08307 |
| Heavy Atoms | 26 |
| Complexity | 990.30597 |
Chemical Identifiers
| CAS Number | 1164475-61-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2)[N+](=O)[O-] |
Product Overview
BioA-IN-13 (CAS 1164475-61-9), with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol. IUPAC: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methyl-3-nitrophenyl)pent-4-enoic acid.
Chemical Property Profile of BioA-IN-13
Property Insights of BioA-IN-13
The XLogP value of 4.91832 indicates that BioA-IN-13 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BioA-IN-13. Following Lipinski's Rule of Five, BioA-IN-13 has 1 hydrogen bond donor(s) and 5 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 BioA-IN-13?
The CAS number of BioA-IN-13 is 1164475-61-9.
What is the molecular formula of BioA-IN-13?
The molecular formula of BioA-IN-13 is C19H16N2O4S.
What is the molecular weight of BioA-IN-13?
The molecular weight of BioA-IN-13 is 368.08 g/mol.
Where can I buy BioA-IN-13?
You can request a quote for BioA-IN-13 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BioA-IN-13?
Yes, KEHONG BIO provides custom synthesis services for BioA-IN-13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.