BAS 06900457
TL;DR: BAS 06900457 (CAS 445381-31-7) is a chemical compound with molecular formula C27H21N3O4S2 and molecular weight 515.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]sulfanyl]acetamide
Also Known As: BAS 06900457, AM-807/13617222, N-(1,3-benzodioxol-5-ylmethyl)-2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanylacetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-{[3-cyano-6-(4-methoxyphenyl)-4-(2-thienyl)-2-pyridinyl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-{[3-cyano-6-(4-methoxyphenyl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide
| Molecular Formula | C27H21N3O4S2 |
|---|---|
| Molecular Weight | 515.10 g/mol |
| LogP | 5.49458 |
| Topological Polar Surface Area | 93.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.09735 |
| Heavy Atoms | 36 |
| Complexity | 1430.9019 |
Chemical Identifiers
| CAS Number | 445381-31-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)NCC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 06900457 (CAS 445381-31-7), with molecular formula C27H21N3O4S2 and molecular weight 515.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]sulfanyl]acetamide.
Chemical Property Profile of BAS 06900457
Property Insights of BAS 06900457
The XLogP value of 5.49458 indicates that BAS 06900457 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900457. Following Lipinski's Rule of Five, BAS 06900457 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 06900457?
The CAS number of BAS 06900457 is 445381-31-7.
What is the molecular formula of BAS 06900457?
The molecular formula of BAS 06900457 is C27H21N3O4S2.
What is the molecular weight of BAS 06900457?
The molecular weight of BAS 06900457 is 515.10 g/mol.
Where can I buy BAS 06900457?
You can request a quote for BAS 06900457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900457?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.