A3244/0137802
TL;DR: A3244/0137802 (CAS 634165-89-2) is a chemical compound with molecular formula C19H17N5O5S and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]methyl]benzoic acid
Also Known As: A3244/0137802, 3-((2-((1-(4-(methoxycarbonyl)phenyl)-1H-tetrazol-5-yl)thio)acetamido)methyl)benzoic acid, 3-[[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]methyl]benzoic acid, 3-({[({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetyl]amino}methyl)benzoic acid, 3-{[2-({1-[4-(METHOXYCARBONYL)PHENYL]-1H-1,2,3,4-TETRAZOL-5-YL}SULFANYL)ACETAMIDO]METHYL}BENZOIC ACID
| Molecular Formula | C19H17N5O5S |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.09503 |
| Heavy Atoms | 30 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 634165-89-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NCC3=CC(=CC=C3)C(=O)O |
| InChIKey | XEMKMVJECJZREN-UHFFFAOYSA-N |
Product Overview
A3244/0137802 (CAS 634165-89-2), with molecular formula C19H17N5O5S and molecular weight 427.10 g/mol. IUPAC: 3-[[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]methyl]benzoic acid.
Chemical Property Profile of A3244/0137802
Property Insights of A3244/0137802
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3244/0137802. The TPSA of 162.0 Ų indicates high polarity, suggesting A3244/0137802 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3244/0137802 has 2 hydrogen bond donor(s) and 9 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 A3244/0137802?
The CAS number of A3244/0137802 is 634165-89-2.
What is the molecular formula of A3244/0137802?
The molecular formula of A3244/0137802 is C19H17N5O5S.
What is the molecular weight of A3244/0137802?
The molecular weight of A3244/0137802 is 427.10 g/mol.
Where can I buy A3244/0137802?
You can request a quote for A3244/0137802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3244/0137802?
Yes, KEHONG BIO provides custom synthesis services for A3244/0137802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.