甲氧羰基乙酰氯
TL;DR: 甲氧羰基乙酰氯 (CAS 37517-81-0) is a chemical compound with molecular formula C14H13Cl2N3O4S2 and molecular weight 420.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲氧羰基乙酰氯
3-benzyl-3,6-dichloro-1,1-dioxo-2,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: Benzyldihydrochlorothiazide, 3-benzyl-3,6-dichloro-1,1-dioxo-2,4-dihydro-1, 3-benzyl-3,6-dichloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-3,6-dichloro-3-(phenylmethyl)-, 1,1-dioxide, 3-benzyl-3,6-dichloro-1,1-dioxo-2,4-dihydro-1lambda6,2,4-benzothi
| Molecular Formula | C14H13Cl2N3O4S2 |
|---|---|
| Molecular Weight | 420.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.97244 |
| Heavy Atoms | 25 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 37517-81-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2(NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl)Cl |
| InChIKey | PHHILWGNCGEKHB-UHFFFAOYSA-N |
Product Overview
甲氧羰基乙酰氯 (CAS 37517-81-0), with molecular formula C14H13Cl2N3O4S2 and molecular weight 420.97 g/mol. IUPAC: 3-benzyl-3,6-dichloro-1,1-dioxo-2,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.
Chemical Property Profile of 甲氧羰基乙酰氯
Property Insights of 甲氧羰基乙酰氯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲氧羰基乙酰氯. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲氧羰基乙酰氯. Following Lipinski's Rule of Five, 甲氧羰基乙酰氯 has 3 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 甲氧羰基乙酰氯?
The CAS number of 甲氧羰基乙酰氯 is 37517-81-0.
What is the molecular formula of 甲氧羰基乙酰氯?
The molecular formula of 甲氧羰基乙酰氯 is C14H13Cl2N3O4S2.
What is the molecular weight of 甲氧羰基乙酰氯?
The molecular weight of 甲氧羰基乙酰氯 is 420.97 g/mol.
Where can I buy 甲氧羰基乙酰氯?
You can request a quote for 甲氧羰基乙酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲氧羰基乙酰氯?
Yes, KEHONG BIO provides custom synthesis services for 甲氧羰基乙酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.