BAS 01506662
TL;DR: BAS 01506662 (CAS 332374-73-9) is a chemical compound with molecular formula C21H20N2O7 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]propanoic acid
Also Known As: BAS 01506662, (Z)-3-(3-(benzo[d][1,3]dioxol-5-yl)-2-(2-methoxybenzamido)acrylamido)propanoic acid, 3-[(2Z)-3-(2H-1,3-BENZODIOXOL-5-YL)-2-[(2-METHOXYPHENYL)FORMAMIDO]PROP-2-ENAMIDO]PROPANOIC ACID, 3-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]propanoic acid, N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(2-methoxyphenyl)carbonyl]amino}prop-2-enoyl]-beta-alanine
| Molecular Formula | C21H20N2O7 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 1.7857 |
| Topological Polar Surface Area | 123.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.12704 |
| Heavy Atoms | 30 |
| Complexity | 1000.5994 |
Chemical Identifiers
| CAS Number | 332374-73-9 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)NCCC(=O)O |
Product Overview
BAS 01506662 (CAS 332374-73-9), with molecular formula C21H20N2O7 and molecular weight 412.13 g/mol. IUPAC: 3-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]propanoic acid.
Chemical Property Profile of BAS 01506662
Property Insights of BAS 01506662
The XLogP value of 1.7857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01506662. The TPSA of 123.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01506662. Following Lipinski's Rule of Five, BAS 01506662 has 3 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 BAS 01506662?
The CAS number of BAS 01506662 is 332374-73-9.
What is the molecular formula of BAS 01506662?
The molecular formula of BAS 01506662 is C21H20N2O7.
What is the molecular weight of BAS 01506662?
The molecular weight of BAS 01506662 is 412.13 g/mol.
Where can I buy BAS 01506662?
You can request a quote for BAS 01506662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01506662?
Yes, KEHONG BIO provides custom synthesis services for BAS 01506662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.