A3549/0150451
TL;DR: A3549/0150451 (CAS 669746-27-4) is a chemical compound with molecular formula C22H17N5O3S2 and molecular weight 463.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(1,3-benzoxazol-2-ylamino)pyrimidine-5-carboxylate
Also Known As: A3549/0150451, ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-(1,3-benzoxazol-2-ylamino)pyrimidine-5-carboxylate, ethyl 2-(benzo[d]oxazol-2-ylamino)-4-((benzo[d]thiazol-2-ylthio)methyl)pyrimidine-5-carboxylate, ethyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(1,3-benzoxazol-2-ylamino)pyrimidine-5-carboxylate, ETHYL 4-[(1,3-BENZOTHIAZOL-2-YLSULFANYL)METHYL]-2-[(1,3-BENZOXAZOL-2-YL)AMINO]PYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C22H17N5O3S2 |
|---|---|
| Molecular Weight | 463.08 g/mol |
| LogP | 5.4401 |
| Topological Polar Surface Area | 103.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.07727 |
| Heavy Atoms | 32 |
| Complexity | 1349.2733 |
Chemical Identifiers
| CAS Number | 669746-27-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1CSC2=NC3=CC=CC=C3S2)NC4=NC5=CC=CC=C5O4 |
Product Overview
A3549/0150451 (CAS 669746-27-4), with molecular formula C22H17N5O3S2 and molecular weight 463.08 g/mol. IUPAC: ethyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(1,3-benzoxazol-2-ylamino)pyrimidine-5-carboxylate.
Chemical Property Profile of A3549/0150451
Property Insights of A3549/0150451
The XLogP value of 5.4401 indicates that A3549/0150451 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.03 Ų falls within the moderate polarity range, balancing permeability and solubility for A3549/0150451. Following Lipinski's Rule of Five, A3549/0150451 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3549/0150451?
The CAS number of A3549/0150451 is 669746-27-4.
What is the molecular formula of A3549/0150451?
The molecular formula of A3549/0150451 is C22H17N5O3S2.
What is the molecular weight of A3549/0150451?
The molecular weight of A3549/0150451 is 463.08 g/mol.
Where can I buy A3549/0150451?
You can request a quote for A3549/0150451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3549/0150451?
Yes, KEHONG BIO provides custom synthesis services for A3549/0150451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.