BAS 04913224
TL;DR: BAS 04913224 (CAS 625822-38-0) is a chemical compound with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-benzyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid
Also Known As: BAS 04913224, 3-{[2-benzyl-5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-yl]amino}pr opanoic acid, 3-[(2-benzyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid, N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine, 3-((2-benzyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propanoic acid
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 4.0475 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 937.12933 |
Chemical Identifiers
| CAS Number | 625822-38-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=C(N=C3S2)CC4=CC=CC=C4)NCCC(=O)O |
Product Overview
BAS 04913224 (CAS 625822-38-0), with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol. IUPAC: 3-[(2-benzyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
Chemical Property Profile of BAS 04913224
Property Insights of BAS 04913224
The XLogP value of 4.0475 indicates that BAS 04913224 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04913224. Following Lipinski's Rule of Five, BAS 04913224 has 2 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 BAS 04913224?
The CAS number of BAS 04913224 is 625822-38-0.
What is the molecular formula of BAS 04913224?
The molecular formula of BAS 04913224 is C20H21N3O2S.
What is the molecular weight of BAS 04913224?
The molecular weight of BAS 04913224 is 367.14 g/mol.
Where can I buy BAS 04913224?
You can request a quote for BAS 04913224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913224?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.