BAS 04969595
TL;DR: BAS 04969595 (CAS 327094-56-4) is a chemical compound with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-hydroxypropyl)-4-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide
Also Known As: BAS 04969595, AF-399/40712663, F0899-0001, N-(3-hydroxypropyl)-4-(((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzamide, N-(3-hydroxypropyl)-4-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide
| Molecular Formula | C22H25N3O3S2 |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 3.2783 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.13373 |
| Heavy Atoms | 30 |
| Complexity | 1119.3435 |
Chemical Identifiers
| CAS Number | 327094-56-4 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)NCCCO)SC4=C2CCCC4 |
Product Overview
BAS 04969595 (CAS 327094-56-4), with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol. IUPAC: N-(3-hydroxypropyl)-4-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide.
Chemical Property Profile of BAS 04969595
Property Insights of BAS 04969595
The XLogP value of 3.2783 indicates that BAS 04969595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04969595. Following Lipinski's Rule of Five, BAS 04969595 has 2 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 04969595?
The CAS number of BAS 04969595 is 327094-56-4.
What is the molecular formula of BAS 04969595?
The molecular formula of BAS 04969595 is C22H25N3O3S2.
What is the molecular weight of BAS 04969595?
The molecular weight of BAS 04969595 is 443.13 g/mol.
Where can I buy BAS 04969595?
You can request a quote for BAS 04969595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04969595?
Yes, KEHONG BIO provides custom synthesis services for BAS 04969595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.