ChemDiv1_012511
TL;DR: ChemDiv1_012511 (CAS 310449-47-9) is a chemical compound with molecular formula C27H29N7O4S3 and molecular weight 611.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2,5-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: ChemDiv1_012511, F0772-0548, N-((4-(2,5-dimethylphenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-[[4-(2,5-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide, N-{[4-(2,5-DIMETHYLPHENYL)-5-({[(1,3-THIAZOL-2-YL)CARBAMOYL]METHYL}SULFANYL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}-4-(PYRROLIDINE-1-SULFONYL)BENZAMIDE
| Molecular Formula | C27H29N7O4S3 |
|---|---|
| Molecular Weight | 611.14 g/mol |
| LogP | 3.78594 |
| Topological Polar Surface Area | 139.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 611.1443 |
| Heavy Atoms | 41 |
| Complexity | 1646.5331 |
Chemical Identifiers
| CAS Number | 310449-47-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 |
Product Overview
ChemDiv1_012511 (CAS 310449-47-9), with molecular formula C27H29N7O4S3 and molecular weight 611.14 g/mol. IUPAC: N-[[4-(2,5-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of ChemDiv1_012511
Property Insights of ChemDiv1_012511
The XLogP value of 3.78594 indicates that ChemDiv1_012511 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012511. Following Lipinski's Rule of Five, ChemDiv1_012511 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012511?
The CAS number of ChemDiv1_012511 is 310449-47-9.
What is the molecular formula of ChemDiv1_012511?
The molecular formula of ChemDiv1_012511 is C27H29N7O4S3.
What is the molecular weight of ChemDiv1_012511?
The molecular weight of ChemDiv1_012511 is 611.14 g/mol.
Where can I buy ChemDiv1_012511?
You can request a quote for ChemDiv1_012511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012511?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.