UPCMLD0ENAT0515-3623:001
TL;DR: UPCMLD0ENAT0515-3623:001 (CAS 530132-36-6) is a chemical compound with molecular formula C18H13ClN2O3S2 and molecular weight 404.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-2-methylbenzoic acid
Also Known As: UPCMLD0ENAT0515-3623:001, 3-({[(3-chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid, 3-[[[[ CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOICACID, 3-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID, 3-[({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)amino]-2-methylbenzoic acid
| Molecular Formula | C18H13ClN2O3S2 |
|---|---|
| Molecular Weight | 404.01 g/mol |
| LogP | 4.68812 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0056 |
| Heavy Atoms | 26 |
| Complexity | 1046.0923 |
Chemical Identifiers
| CAS Number | 530132-36-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O |
Product Overview
UPCMLD0ENAT0515-3623:001 (CAS 530132-36-6), with molecular formula C18H13ClN2O3S2 and molecular weight 404.01 g/mol. IUPAC: 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of UPCMLD0ENAT0515-3623:001
Property Insights of UPCMLD0ENAT0515-3623:001
The XLogP value of 4.68812 indicates that UPCMLD0ENAT0515-3623:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0515-3623:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0515-3623:001 has 3 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT0515-3623:001?
The CAS number of UPCMLD0ENAT0515-3623:001 is 530132-36-6.
What is the molecular formula of UPCMLD0ENAT0515-3623:001?
The molecular formula of UPCMLD0ENAT0515-3623:001 is C18H13ClN2O3S2.
What is the molecular weight of UPCMLD0ENAT0515-3623:001?
The molecular weight of UPCMLD0ENAT0515-3623:001 is 404.01 g/mol.
Where can I buy UPCMLD0ENAT0515-3623:001?
You can request a quote for UPCMLD0ENAT0515-3623:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0515-3623:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0515-3623:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.