TimTec1_003153
TL;DR: TimTec1_003153 (CAS 499103-89-8) is a chemical compound with molecular formula C18H16N2O3S3 and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid
Also Known As: TimTec1_003153, 4-{[(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoic acid, BRD-K17960313-001-01-1, 4-[({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)methyl]benzoic acid, 4-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid
| Molecular Formula | C18H16N2O3S3 |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 4.8295 |
| Topological Polar Surface Area | 72.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.03232 |
| Heavy Atoms | 26 |
| Complexity | 864.14764 |
Chemical Identifiers
| CAS Number | 499103-89-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)O |
Product Overview
TimTec1_003153 (CAS 499103-89-8), with molecular formula C18H16N2O3S3 and molecular weight 404.03 g/mol. IUPAC: 4-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid.
Chemical Property Profile of TimTec1_003153
Property Insights of TimTec1_003153
The XLogP value of 4.8295 indicates that TimTec1_003153 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.31 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_003153. Following Lipinski's Rule of Five, TimTec1_003153 has 1 hydrogen bond donor(s) and 7 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 TimTec1_003153?
The CAS number of TimTec1_003153 is 499103-89-8.
What is the molecular formula of TimTec1_003153?
The molecular formula of TimTec1_003153 is C18H16N2O3S3.
What is the molecular weight of TimTec1_003153?
The molecular weight of TimTec1_003153 is 404.03 g/mol.
Where can I buy TimTec1_003153?
You can request a quote for TimTec1_003153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003153?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.