RefChem:508566
TL;DR: RefChem:508566 (CAS 477330-71-5) is a chemical compound with molecular formula C25H22N2O4S2 and molecular weight 478.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid
Also Known As: SALOR-INT L244279-1EA, 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoic acid, 4-({[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid, 4-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid, 4-(((3-(4-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)METHYL)BENZOIC ACID
| Molecular Formula | C25H22N2O4S2 |
|---|---|
| Molecular Weight | 478.10 g/mol |
| LogP | 5.3251 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.1021 |
| Heavy Atoms | 33 |
| Complexity | 1389.4421 |
Chemical Identifiers
| CAS Number | 477330-71-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)C(=O)O)SC5=C3CCCC5 |
Product Overview
RefChem:508566 (CAS 477330-71-5), with molecular formula C25H22N2O4S2 and molecular weight 478.10 g/mol. IUPAC: 4-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid.
Chemical Property Profile of RefChem:508566
Property Insights of RefChem:508566
The XLogP value of 5.3251 indicates that RefChem:508566 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:508566. Following Lipinski's Rule of Five, RefChem:508566 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:508566?
The CAS number of RefChem:508566 is 477330-71-5.
What is the molecular formula of RefChem:508566?
The molecular formula of RefChem:508566 is C25H22N2O4S2.
What is the molecular weight of RefChem:508566?
The molecular weight of RefChem:508566 is 478.10 g/mol.
Where can I buy RefChem:508566?
You can request a quote for RefChem:508566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:508566?
Yes, KEHONG BIO provides custom synthesis services for RefChem:508566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.